Glycoside
GD016285
Name:
NoneFormula:
C49H61O15N9Smiles:
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=OAglycone:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.41 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 24 |
| MolWt: | 1016.08 | Num_heavy_atoms: | 73 |
| TPSA: | 403.1 | NumAromaticRings: | 5 |
Unique Aglycone
AD11749
Formula: C43H51O10N9
Smiles:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O| HBA: | 19 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.33 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 21 |
| MolWt: | 853.93 | Num_heavy_atoms: | 62 |
| TPSA: | 323.95 | NumAromaticRings: | 5 |
