Glycoside
GD012133
Name:
NoneFormula:
C16H24O8N5PSmiles:
CCOP(=O)(CC(=O)NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)NC)OCC.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.37 | Num_heavy_atoms: | 30 |
| TPSA: | 177.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD09167
Formula: C7H16O4NP
Smiles:
CCOP(=O)(CC(=O)NC)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 209.18 | Num_heavy_atoms: | 13 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
