Glycoside
...
GD020289

Name:
None

Formula:
C24H25O9N3

Smiles:
COc1ccc(N2CCN(C(=O)[C@H](O)[C@H](O)C(=O)Nc3c(O)c4cc(O)ccc4oc3=O)CC2)cc1

Aglycone:
COc1ccc(N2CCNCC2)cc1.Nc1c(O)c2cc(O)ccc2oc1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: 0.22 Num_rotatable_bonds: 6
MolWt: 499.48 Num_heavy_atoms: 36
TPSA: 173.01 NumAromaticRings: 3

Unique Aglycone
AD14034
Formula: C11H16ON2

Smiles:
COc1ccc(N2CCNCC2)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 1.1 Num_rotatable_bonds: 2
MolWt: 192.26 Num_heavy_atoms: 14
TPSA: 24.5 NumAromaticRings: 1
AD14035
Formula: C9H7O4N

Smiles:
Nc1c(O)c2cc(O)ccc2oc1=O
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 0.79 Num_rotatable_bonds: 0
MolWt: 193.16 Num_heavy_atoms: 14
TPSA: 96.69 NumAromaticRings: 2

Sugarmoiety
SD00169

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