Glycoside
...
GD115508

Name:
methyl 3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-({4,5,6-trihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)oxane-2-carboxylate

Formula:
C47H76O19

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)CO)C(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.32 Num_rotatable_bonds: 8
MolWt: 945.11 Num_heavy_atoms: 66
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD00828
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD04637

COC(=O)C1OC(O)C(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1O