Glycoside
GD025271
Name:
NoneFormula:
C15H26O11N2P2SSmiles:
CCCCCCSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCSc1cc[nH]c(=O)n1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 504.39 | Num_heavy_atoms: | 31 |
| TPSA: | 197.87 | 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 |
AD16778
Formula: C10H16ON2S
Smiles:
CCCCCCSc1cc[nH]c(=O)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 212.32 | Num_heavy_atoms: | 14 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
