Glycoside
GD009502
Name:
NoneFormula:
C32H49O8N5Smiles:
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1Aglycone:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 631.77 | Num_heavy_atoms: | 45 |
| TPSA: | 180.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD07445
Formula: C26H39O3N5
Smiles:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.63 | Num_heavy_atoms: | 34 |
| TPSA: | 101.56 | NumAromaticRings: | 2 |
