Glycoside
GD008204
Name:
NoneFormula:
C22H32O15N4P2S2Smiles:
CCSc1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(SCC)nc4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCSc1cc[nH]c(=O)n1.CCSc1cc[nH]c(=O)n1.COP(=O)(O)OP(=O)(O)OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.59 | Num_heavy_atoms: | 45 |
| TPSA: | 271.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD06580
Formula: C6H8ON2S
Smiles:
CCSc1cc[nH]c(=O)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.21 | Num_heavy_atoms: | 10 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
