Castalin

7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione

Also Known As: Castalin|Castalagin|Vescalin|7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione|NEOVESCALIN, INTRAMOL. 25,17-ESTER, (15.BETA.)-|NEOVESCALIN, INTRAMOL. 25,17-ESTER, (15BETA)-|7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5,7,9,11(28),12,14,16,18,20-nonaene-4,22,27-trione(non-preferredname)|12H-8,17,21-(EPOXYETHANYLYLIDYNE)-4,7-METHANO-5H-DIBENZO(H,O)(1,6)DIOXACYCLOHEPTADECIN-5,12,23-TRIONE, 7,8,9,10-TETRAHYDRO-1,2,3,9,14,15,16,18,19,20,25-UNDECAHYDROXY-10-(HYDROXYMETHYL)-|7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo(13.10.3.12,6.05,10.011,28.016,21)nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione

Molecular Formula	C27H20O18
Molecular Weight	632.06494 g/mol
LogP	-0.63
Topological Polar Surface Area	321.66 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	18
Rotatable Bonds	1
Exact Mass	632.06494
Heavy Atoms	45
Complexity	1879.0

Chemical Identifiers

CAS Number	19086-75-0
SMILES	C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O