Glycoside
GD006791
Name:
NoneFormula:
C13H18O11N2P2SSmiles:
C#CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@H]1OAglycone:
C#CCCOP(=O)(O)OP(=O)(O)OC.O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.31 | Num_heavy_atoms: | 29 |
| TPSA: | 189.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD00306
Formula: C4H4ON2S
Smiles:
O=c1cc[nH]c(=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 |
AD03685
Formula: C5H10O7P2
Smiles:
C#CCCOP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 244.08 | Num_heavy_atoms: | 14 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
