Glycoside
...
GD025418

Name:
None

Formula:
C38H52O16

Smiles:
CC(=O)OC[C@@]12CC[C@@H]3[C@H](CC=C4CC=CC(=O)[C@]43C)[C@@]1(O)[C@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@@H]1CC(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1

Aglycone:
CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)C(OC(C)=O)CC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 7 FractionCSP3: 0.74
AlogP: -0.58 Num_rotatable_bonds: 9
MolWt: 764.82 Num_heavy_atoms: 54
TPSA: 256.04 NumAromaticRings: 0

Unique Aglycone
AD16858
Formula: C32H42O11

Smiles:
CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)C(OC(C)=O)CC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.69
AlogP: 1.6 Num_rotatable_bonds: 6
MolWt: 602.68 Num_heavy_atoms: 43
TPSA: 176.89 NumAromaticRings: 0

Sugarmoiety
SD00003

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