Glycoside
GD024339
Name:
NoneFormula:
C27H40O5N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2C[C@H](CO)NCC[C@H]2N)[C@H](N)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
NC1CCNC(CO)CC1O.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 500.64 | Num_heavy_atoms: | 36 |
| TPSA: | 147.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01469
Formula: C7H16O2N2
Smiles:
NC1CCNC(CO)CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.22 | Num_heavy_atoms: | 11 |
| TPSA: | 78.51 | NumAromaticRings: | 0 |
