Glycoside
...
GD094935

Name:
None

Formula:
C20H24O11N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H]3CCC(=O)NC3=O)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1CCC(Nc2c[nH]c(=O)[nH]c2=O)C(=O)N1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.55
AlogP: -1.92 Num_rotatable_bonds: 7
MolWt: 496.43 Num_heavy_atoms: 35
TPSA: 201.19 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD40565
Formula: C9H10O4N4

Smiles:
O=C1CCC(Nc2c[nH]c(=O)[nH]c2=O)C(=O)N1
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.33
AlogP: -1.72 Num_rotatable_bonds: 2
MolWt: 238.2 Num_heavy_atoms: 17
TPSA: 123.92 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O