Glycoside
GD035427
Name:
NoneFormula:
C39H56O10N4Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H](C(=O)N[C@H](Cc2ccccc2)C(C)N[C@H](CC(C)C)C(=O)OC)[C@H](O)[C@H]1OAglycone:
COC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC=O.COC(=O)C(CC(C)C)NC(C)C(Cc1ccccc1)NC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 19 |
| MolWt: | 740.9 | Num_heavy_atoms: | 53 |
| TPSA: | 201.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD22413
Formula: C17H24O4N2
Smiles:
COC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 320.39 | Num_heavy_atoms: | 23 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
AD22414
Formula: C18H28O3N2
Smiles:
COC(=O)C(CC(C)C)NC(C)C(Cc1ccccc1)NC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 320.43 | Num_heavy_atoms: | 23 |
| TPSA: | 67.43 | NumAromaticRings: | 1 |
