Glycoside
...
GD000634

Name:
None

Formula:
C26H32O11N8

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1NC(=O)c1cccc(Cc2cn(C[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)nn2)n1

Aglycone:
CC(=O)NC1C(NC(=O)c2cccc(Cc3cn(C)nn3)n2)OC(CO)C(O)C1O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 8 FractionCSP3: 0.5
AlogP: -4.89 Num_rotatable_bonds: 9
MolWt: 632.59 Num_heavy_atoms: 45
TPSA: 276.27 NumAromaticRings: 3

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
AD00689
Formula: C18H24O6N6

Smiles:
CC(=O)NC1C(NC(=O)c2cccc(Cc3cn(C)nn3)n2)OC(CO)C(O)C1O
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: -2.53 Num_rotatable_bonds: 6
MolWt: 420.43 Num_heavy_atoms: 30
TPSA: 171.72 NumAromaticRings: 2

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O