Glycoside
GD023045
Name:
NoneFormula:
C36H39O9N3Smiles:
O=C(O)[C@@H]1O[C@H](O[C@H](COc2cccc3ncccc23)CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 657.72 | Num_heavy_atoms: | 48 |
| TPSA: | 162.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD15546
Formula: C30H31O3N3
Smiles:
O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.6 | Num_heavy_atoms: | 36 |
| TPSA: | 65.9 | NumAromaticRings: | 4 |
