Glycoside
GD004640
Name:
NoneFormula:
C29H51O9N7Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CN)CC[C@H]2N)[C@H](NCc2ccccc2)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(NCc2ccccc2)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.76 |
| AlogP: | -4.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 641.77 | Num_heavy_atoms: | 45 |
| TPSA: | 289.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD04027
Formula: C23H40O5N6
Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(NCc2ccccc2)C1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.7 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 480.61 | Num_heavy_atoms: | 34 |
| TPSA: | 204.13 | NumAromaticRings: | 1 |
