Glycoside
GD032007
Name:
NoneFormula:
C10H16O11N2P2SSmiles:
CSc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.CSC1=NC(=O)C=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.26 | Num_heavy_atoms: | 26 |
| 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 |
AD20565
Formula: C5H5ON2S
Smiles:
CSC1=NC(=O)C=C[N]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.17 | Num_heavy_atoms: | 9 |
| TPSA: | 43.53 | NumAromaticRings: | 0 |
