Glycoside
...
GD026458

Name:
None

Formula:
C59H64O9N10

Smiles:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccccc3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1

Aglycone:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccccc3O)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 17 FractionCSP3: 0.27
AlogP: 5.07 Num_rotatable_bonds: 13
MolWt: 1057.22 Num_heavy_atoms: 78
TPSA: 327.9 NumAromaticRings: 8

Unique Aglycone
AD17440
Formula: C53H54O4N10

Smiles:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccccc3O)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1
HBA: 14 RingCount: 9
HBD: 14 FractionCSP3: 0.19
AlogP: 7.6 Num_rotatable_bonds: 10
MolWt: 895.08 Num_heavy_atoms: 67
TPSA: 248.75 NumAromaticRings: 8

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O