Glycoside
...
GD110098

Name:
None

Formula:
C32H31O14N

Smiles:
COc1ccccc1CNC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.COc1ccccc1CN

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.25
AlogP: 2.71 Num_rotatable_bonds: 14
MolWt: 653.59 Num_heavy_atoms: 47
TPSA: 199.29 NumAromaticRings: 3

Unique Aglycone
AD44025
Formula: C8H11ON

Smiles:
COc1ccccc1CN
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.15 Num_rotatable_bonds: 2
MolWt: 137.18 Num_heavy_atoms: 10
TPSA: 35.25 NumAromaticRings: 1
AD44411
Formula: C10H10O4

Smiles:
COc1cc(C=O)ccc1OC(C)=O
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.2
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 52.6 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O