Glycoside
GD014740
Name:
NoneFormula:
C62H68O14N8Smiles:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc2[nH]3)cc1Aglycone:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 18 | FractionCSP3: | 0.32 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 1149.27 | Num_heavy_atoms: | 84 |
| TPSA: | 372.16 | NumAromaticRings: | 8 |
Unique Aglycone
AD10802
Formula: C50H48O4N8
Smiles:
CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1| HBA: | 12 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.16 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 824.99 | Num_heavy_atoms: | 62 |
| TPSA: | 213.86 | NumAromaticRings: | 8 |
