Glycoside
GD002516
Name:
NoneFormula:
C20H32O12N3PSmiles:
CC(=O)OCCN(CCOC(C)=O)CCP(=O)(O)OC[C@@H]1O[C@H](Cn2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CCN(CCOC(C)=O)CCOC(C)=O.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 537.46 | Num_heavy_atoms: | 36 |
| TPSA: | 206.92 | 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 |
AD02393
Formula: C11H22O7NP
Smiles:
COP(=O)(O)CCN(CCOC(C)=O)CCOC(C)=O| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 311.27 | Num_heavy_atoms: | 20 |
| TPSA: | 102.37 | NumAromaticRings: | 0 |
