Glycoside
...
GD153786

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11-{4-[8,9-dihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl]-2-methylbutan-2-yl}-1,13-dihydroxy-2,2,6a,6b,9a,13a,15b-heptamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,8aH,9H,9aH,11H,12aH,13H,13aH,13bH,14H,15bH-piceno[2,3-d][1,3]dioxole-4a-carboxylate

Formula:
C72H114O21

Smiles:
CC(C)(CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC(C)(C)C(O)C34C)CC2(C)O1

Aglycone:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)O)CCC(C)(C)C(O)C34C)CC2(C)O1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 12
HBD: 13 FractionCSP3: 0.92
AlogP: 4.76 Num_rotatable_bonds: 11
MolWt: 1315.68 Num_heavy_atoms: 93
TPSA: 352.51 NumAromaticRings: 0

Unique Aglycone
AD61134
Formula: C60H94O11

Smiles:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)O)CCC(C)(C)C(O)C34C)CC2(C)O1
HBA: 11 RingCount: 10
HBD: 7 FractionCSP3: 0.9
AlogP: 10.24 Num_rotatable_bonds: 7
MolWt: 991.4 Num_heavy_atoms: 71
TPSA: 194.21 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O