Glycoside
...
GD014138

Name:
None

Formula:
C42H44O17N8

Smiles:
CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](O)[C@@H](COc2nc(O)nc(N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)O)=C3)n2)O[C@H]1O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O.COc1nc(O)nc(N=C2C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)n1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 12 FractionCSP3: 0.33
AlogP: -0.68 Num_rotatable_bonds: 16
MolWt: 932.85 Num_heavy_atoms: 67
TPSA: 394.09 NumAromaticRings: 3

Unique Aglycone
AD00987
Formula: C11H19O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O
HBA: 9 RingCount: 0
HBD: 6 FractionCSP3: 0.64
AlogP: -2.29 Num_rotatable_bonds: 8
MolWt: 289.29 Num_heavy_atoms: 20
TPSA: 158.82 NumAromaticRings: 0
AD10444
Formula: C24H16O7N4

Smiles:
COc1nc(O)nc(N=C2C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)n1
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.04
AlogP: 3.26 Num_rotatable_bonds: 3
MolWt: 472.41 Num_heavy_atoms: 35
TPSA: 167.48 NumAromaticRings: 3

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O