Glycoside
GD009160
Name:
NoneFormula:
C10H17O12N2P3S2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=S)(S)OP(=O)(O)CP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.3 | Num_heavy_atoms: | 29 |
| TPSA: | 217.84 | 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 |
AD07212
Formula: C2H9O7P3S2
Smiles:
COP(=S)(S)OP(=O)(O)CP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 302.14 | Num_heavy_atoms: | 14 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
