Glycoside
GD026847
Name:
NoneFormula:
C9H16O17N2P4SSmiles:
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 580.19 | Num_heavy_atoms: | 33 |
| TPSA: | 293.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD01690
Formula: CH8O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.96 | Num_heavy_atoms: | 18 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
AD06106
Formula: C4H4ON2S
Smiles:
O=c1[nH]ccc(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
