Glycoside
GD032892
Name:
NoneFormula:
C10H17O13N2P3S2Smiles:
CSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=S)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CSc1cc[nH]c(=S)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 530.3 | Num_heavy_atoms: | 30 |
| TPSA: | 227.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD21038
Formula: C5H6N2S2
Smiles:
CSc1cc[nH]c(=S)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.25 | Num_heavy_atoms: | 9 |
| TPSA: | 28.68 | NumAromaticRings: | 1 |
