Glycoside
...
GD014184

Name:
None

Formula:
C32H30O10N2

Smiles:
COC([C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O

Aglycone:
Cc1c[nH]c(=O)[nH]c1=O.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
COC(O)C(OO)C(OO)C(O)COO

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.22
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 602.6 Num_heavy_atoms: 44
TPSA: 163.22 NumAromaticRings: 4

Unique Aglycone
AD00276
Formula: C5H6O2N2

Smiles:
Cc1c[nH]c(=O)[nH]c1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.63 Num_rotatable_bonds: 0
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 65.72 NumAromaticRings: 1
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD01894

COC(O)C(OO)C(OO)C(O)COO