Glycoside
GD015359
Name:
NoneFormula:
C16H25O10N4PSmiles:
CCOP(=O)(CNC(=O)CNC(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CNC(=O)CNC=O)OCC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 464.37 | Num_heavy_atoms: | 31 |
| TPSA: | 198.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01795
Formula: C8H17O5N2P
Smiles:
CCOP(=O)(CNC(=O)CNC=O)OCC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 252.21 | Num_heavy_atoms: | 16 |
| TPSA: | 93.73 | NumAromaticRings: | 0 |
