Glycoside
GD012880
Name:
NoneFormula:
C15H19O15N2P3SSmiles:
O=c1cc(Sc2ccccc2)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1cc(Sc2ccccc2)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 592.31 | Num_heavy_atoms: | 36 |
| TPSA: | 264.37 | NumAromaticRings: | 2 |
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 |
AD09672
Formula: C10H8O2N2S
Smiles:
O=c1cc(Sc2ccccc2)[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.25 | Num_heavy_atoms: | 15 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
