Glycoside
GD013456
Name:
NoneFormula:
C12H18O13N2P2SSmiles:
O=C(O)CCSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)O.O=C(O)CCSc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 492.29 | Num_heavy_atoms: | 30 |
| TPSA: | 235.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD10035
Formula: C7H8O3N2S
Smiles:
O=C(O)CCSc1cc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 200.22 | Num_heavy_atoms: | 13 |
| TPSA: | 83.05 | NumAromaticRings: | 1 |
