Glycoside
...
GD013098

Name:
None

Formula:
C33H34O16

Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O

Aglycone:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 4 FractionCSP3: 0.45
AlogP: 1.59 Num_rotatable_bonds: 7
MolWt: 686.62 Num_heavy_atoms: 49
TPSA: 238.72 NumAromaticRings: 2

Unique Aglycone
AD07624
Formula: C22H20O9

Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 428.39 Num_heavy_atoms: 31
TPSA: 161.59 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O