Glycoside
GD018666
Name:
NoneFormula:
C24H32O9N4PClSmiles:
CCCCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1ClAglycone:
CCCCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1Cl.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 574.96 | Num_heavy_atoms: | 38 |
| TPSA: | 184.46 | 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 |
AD13131
Formula: C15H21O5NPCl
Smiles:
CCCCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1Cl| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 349.75 | Num_heavy_atoms: | 22 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
