Glycoside
...
GD013996

Name:
None

Formula:
C38H62O11

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C4=C(CC[C@H]3C2(C)C)[C@]2(C(=O)O)CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]2(C)CC4)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 6 FractionCSP3: 0.89
AlogP: 4.1 Num_rotatable_bonds: 10
MolWt: 694.9 Num_heavy_atoms: 49
TPSA: 183.21 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
AD08724
Formula: C30H50O5

Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 5.71 Num_rotatable_bonds: 6
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O