Glycoside
...
GD000822

Name:
None

Formula:
C20H25O10N5

Smiles:
CC(C(N)C(=O)NC(C(=O)O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(O)c1ccc(O)cn1

Aglycone:
CC(C(N)C(=O)NCC(=O)O)C(O)c1ccc(O)cn1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 9 FractionCSP3: 0.45
AlogP: -3.48 Num_rotatable_bonds: 8
MolWt: 495.45 Num_heavy_atoms: 35
TPSA: 250.32 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD00859
Formula: C12H17O5N3

Smiles:
CC(C(N)C(=O)NCC(=O)O)C(O)c1ccc(O)cn1
HBA: 8 RingCount: 1
HBD: 6 FractionCSP3: 0.42
AlogP: -1.02 Num_rotatable_bonds: 6
MolWt: 283.28 Num_heavy_atoms: 20
TPSA: 145.77 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O