Glycoside
GD035255
Name:
NoneFormula:
C17H26O8N5PSSmiles:
CCOP(=O)(CC(=O)OC[C@@H]1O[C@H](n2c(SC)nc3c(N)ncnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)OC)OCC.CSC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 491.46 | Num_heavy_atoms: | 32 |
| TPSA: | 181.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD07583
Formula: C7H15O5P
Smiles:
CCOP(=O)(CC(=O)OC)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 210.17 | Num_heavy_atoms: | 13 |
| TPSA: | 61.83 | NumAromaticRings: | 0 |
AD15359
Formula: C6H6N5S
Smiles:
CSC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
