Glycoside
...
GD037559

Name:
None

Formula:
C34H32O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(OC(C)=O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)OC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Oc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.35
AlogP: 3.56 Num_rotatable_bonds: 9
MolWt: 664.62 Num_heavy_atoms: 48
TPSA: 176.26 NumAromaticRings: 3

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
AD23643
Formula: C20H14O5

Smiles:
CC(=O)Oc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.1
AlogP: 3.81 Num_rotatable_bonds: 2
MolWt: 334.33 Num_heavy_atoms: 25
TPSA: 72.83 NumAromaticRings: 3

Sugarmoiety
SD00012

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