Glycoside
...
GD107389

Name:
None

Formula:
C36H42O20

Smiles:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(OC(C)=O)cc4)[C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21.COC(C)=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 1 FractionCSP3: 0.56
AlogP: 0.58 Num_rotatable_bonds: 13
MolWt: 794.71 Num_heavy_atoms: 56
TPSA: 258.32 NumAromaticRings: 1

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
AD44305
Formula: C22H24O11

Smiles:
CC(=O)OCC1(O)C(OC(C)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21
HBA: 11 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 0.47 Num_rotatable_bonds: 6
MolWt: 464.42 Num_heavy_atoms: 33
TPSA: 154.89 NumAromaticRings: 1

Sugarmoiety
SD00012

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