Glycoside
GD020659
Name:
NoneFormula:
C52H68O13N8Smiles:
CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=OAglycone:
CCCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(N)=O)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.48 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 25 |
| MolWt: | 1013.16 | Num_heavy_atoms: | 73 |
| TPSA: | 335.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD14234
Formula: C46H58O8N8
Smiles:
CCCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(N)=O)C(N)=O| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 23 |
| MolWt: | 851.02 | Num_heavy_atoms: | 62 |
| TPSA: | 258.91 | NumAromaticRings: | 4 |
