Glycoside
GD039079
Name:
amicetinFormula:
C29H42O9N6Smiles:
C[C@H]1O[C@H](n2ccc(NC(=O)c3ccc(NC(=O)[C@](C)(N)CO)cc3)nc2=O)CC[C@@H]1O[C@H]1O[C@H](C)[C@H](N(C)C)[C@H](O)[C@@H]1OAglycone:
CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1N(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 618.69 | Num_heavy_atoms: | 44 |
| TPSA: | 210.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD24269
Formula: C21H27O6N5
Smiles:
CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 168.8 | NumAromaticRings: | 2 |
