Glycoside
...
GD005842

Name:
None

Formula:
C43H64O16

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(=O)[C@@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OCC1(C(=O)O)CCC2(C)C(CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC32C)C1O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.84
AlogP: 4.52 Num_rotatable_bonds: 10
MolWt: 836.97 Num_heavy_atoms: 59
TPSA: 213.56 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD04900
Formula: C29H46O7

Smiles:
CC(=O)OCC1(C(=O)O)CCC2(C)C(CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC32C)C1O
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 4.98 Num_rotatable_bonds: 4
MolWt: 506.68 Num_heavy_atoms: 36
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O