Glycoside
...
GD031934

Name:
None

Formula:
C48H44O22

Smiles:
CC(=O)OC[C@@H]1O[C@](O)(Oc2cc(OC(C)=O)c3c(c2C2C(=O)c4c(OC(C)=O)cc(OC(C)=O)cc4OC2c2ccc(OC(C)=O)cc2)OC(c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)c(C4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5OC4c4ccc(OC(C)=O)cc4)c3O2)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 4 FractionCSP3: 0.33
AlogP: 3.19 Num_rotatable_bonds: 12
MolWt: 972.86 Num_heavy_atoms: 70
TPSA: 309.78 NumAromaticRings: 4

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
AD20529
Formula: C40H32O15

Smiles:
CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)c(C4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5OC4c4ccc(OC(C)=O)cc4)c3O2)cc1
HBA: 15 RingCount: 6
HBD: 1 FractionCSP3: 0.23
AlogP: 5.83 Num_rotatable_bonds: 8
MolWt: 752.68 Num_heavy_atoms: 55
TPSA: 204.33 NumAromaticRings: 4

Sugarmoiety
SD03040

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