Glycoside
GD008323
Name:
NoneFormula:
C40H47O10N7Smiles:
NC(=O)[C@@H]1O[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 14 |
| MolWt: | 785.86 | Num_heavy_atoms: | 57 |
| TPSA: | 282.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD06658
Formula: C34H38O5N6
Smiles:
NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 610.72 | Num_heavy_atoms: | 45 |
| TPSA: | 183.64 | NumAromaticRings: | 4 |
