Glycoside
GD035259
Name:
NoneFormula:
C25H33O13N4P2Smiles:
CC(=O)NC[C@@H]1C[C@H](C(OP(=O)([O-])OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)P(=O)([O-])[O-])C[C@H]1OCc1ccccc1Aglycone:
COP(=O)([O-])OC(C1CC(CNC(C)=O)C(OCc2ccccc2)C1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 659.5 | Num_heavy_atoms: | 44 |
| TPSA: | 270.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD22319
Formula: C17H24O9NP2
Smiles:
COP(=O)([O-])OC(C1CC(CNC(C)=O)C(OCc2ccccc2)C1)P(=O)([O-])[O-]| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 448.33 | Num_heavy_atoms: | 29 |
| TPSA: | 160.11 | NumAromaticRings: | 1 |
