Glycoside
...
GD015115

Name:
None

Formula:
C37H58O12

Smiles:
CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@@]2(C)[C@@H]1[C@H](C)C(=O)CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC(OC(C)=O)C2C(C)C(=O)CCC(C)CO)C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 4 FractionCSP3: 0.89
AlogP: 2.74 Num_rotatable_bonds: 11
MolWt: 694.86 Num_heavy_atoms: 49
TPSA: 186.12 NumAromaticRings: 0

Unique Aglycone
AD11024
Formula: C31H48O7

Smiles:
CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC(OC(C)=O)C2C(C)C(=O)CCC(C)CO)C1
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.87
AlogP: 4.91 Num_rotatable_bonds: 8
MolWt: 532.72 Num_heavy_atoms: 38
TPSA: 106.97 NumAromaticRings: 0

Sugarmoiety
SD00003

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