Glycoside
GD010712
Name:
NoneFormula:
C31H44O10N8Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)C(O)C(O)C(O)C(O)CO)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(N)CO)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.45 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 18 |
| MolWt: | 688.74 | Num_heavy_atoms: | 49 |
| TPSA: | 307.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD08233
Formula: C25H34O4N8
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(N)CO)ccc21| HBA: | 12 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 12 |
| MolWt: | 510.6 | Num_heavy_atoms: | 37 |
| TPSA: | 202.88 | NumAromaticRings: | 3 |
