Glycoside
...
GD034852

Name:
None

Formula:
C42H62O17

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C4=C(CCC3C2)C2=CCC[C@@]2(C2[C@@H]3O[C@]5(C)OC[C@H](C)C5(O)[C@@H]3O[C@H]2O)CC4)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC1COC2(C)OC3C(C45CCC=C4C4=C(CC5)C5(C)CCC(O)CC5CC4)C(O)OC3C12O.COC(C)=O

Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 8 FractionCSP3: 0.88
AlogP: -0.19 Num_rotatable_bonds: 8
MolWt: 838.94 Num_heavy_atoms: 59
TPSA: 252.75 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
AD17213
Formula: C28H40O6

Smiles:
CC1COC2(C)OC3C(C45CCC=C4C4=C(CC5)C5(C)CCC(O)CC5CC4)C(O)OC3C12O
HBA: 6 RingCount: 7
HBD: 3 FractionCSP3: 0.86
AlogP: 3.59 Num_rotatable_bonds: 1
MolWt: 472.62 Num_heavy_atoms: 34
TPSA: 88.38 NumAromaticRings: 0

Sugarmoiety
SD00287

OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O