Glycoside
GD018259
Name:
NoneFormula:
C45H77O9N7Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OCCCCCCCCCCCCN3CCN(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)C2OCCCCCCCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.78 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 22 |
| MolWt: | 860.15 | Num_heavy_atoms: | 61 |
| TPSA: | 263.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD12915
Formula: C39H66O5N6
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 19 |
| MolWt: | 698.99 | Num_heavy_atoms: | 50 |
| TPSA: | 178.71 | NumAromaticRings: | 2 |
