Glycoside
GD030526
Name:
NoneFormula:
C9H15O14N2P3SSmiles:
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.21 | Num_heavy_atoms: | 29 |
| TPSA: | 247.3 | 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 |
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 |
