Glycoside
GD004894
Name:
NoneFormula:
C39H65O9N7Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OCCCCCCN3CCN(Cc4cccc5ccccc45)CC3)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1OAglycone:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.74 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 16 |
| MolWt: | 775.99 | Num_heavy_atoms: | 55 |
| TPSA: | 263.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD04220
Formula: C33H54O5N6
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 614.83 | Num_heavy_atoms: | 44 |
| TPSA: | 178.71 | NumAromaticRings: | 2 |
