Glycoside
GD020372
Name:
NoneFormula:
C18H30O11N3PSmiles:
CC(=O)OCCN(CCO)CCP(=O)(O)OC[C@@H]1O[C@H](Cn2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CCN(CCO)CCOC(C)=O.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 495.42 | Num_heavy_atoms: | 33 |
| TPSA: | 200.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD14075
Formula: C9H20O6NP
Smiles:
COP(=O)(O)CCN(CCO)CCOC(C)=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 269.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.3 | NumAromaticRings: | 0 |
