Glycoside
GD006696
Name:
NoneFormula:
C31H44O10N6Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)C(O)C(O)C(O)C(O)CO)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)CO)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 18 |
| MolWt: | 660.73 | Num_heavy_atoms: | 47 |
| TPSA: | 268.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD05509
Formula: C25H34O4N6
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)CO)ccc21| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 482.59 | Num_heavy_atoms: | 35 |
| TPSA: | 164.5 | NumAromaticRings: | 3 |
