Glycoside
GD035223
Name:
NoneFormula:
C32H55O10N3Smiles:
COc1ccc(C[C@H](C[C@H](N)[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 641.8 | Num_heavy_atoms: | 45 |
| TPSA: | 227.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD22303
Formula: C26H45O5N3
Smiles:
COc1ccc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 479.66 | Num_heavy_atoms: | 34 |
| TPSA: | 147.9 | NumAromaticRings: | 1 |
