Glycoside
...
GD111886

Name:
None

Formula:
C32H31O13N

Smiles:
CCc1ccccc1NC(=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:
CCc1ccccc1N.COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.25
AlogP: 3.59 Num_rotatable_bonds: 13
MolWt: 637.59 Num_heavy_atoms: 46
TPSA: 190.06 NumAromaticRings: 3

Unique Aglycone
AD15970
Formula: C8H11N

Smiles:
CCc1ccccc1N
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 121.18 Num_heavy_atoms: 9
TPSA: 26.02 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