Glycoside
...
GD019932

Name:
None

Formula:
C29H35O11N

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)OCC(C)C)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(O)c(C(=O)OCC(C)C)c(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.48
AlogP: 3.37 Num_rotatable_bonds: 8
MolWt: 573.6 Num_heavy_atoms: 41
TPSA: 166.75 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD13836
Formula: C15H16O6

Smiles:
Cc1c(O)ccc2c(O)c(C(=O)OCC(C)C)c(=O)oc12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 2.33 Num_rotatable_bonds: 3
MolWt: 292.29 Num_heavy_atoms: 21
TPSA: 96.97 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C