Glycoside
GD029433
Name:
NoneFormula:
C20H29O7N5PClSSmiles:
CSCC(C)(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
COC(C)(CSC)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.96 | Num_heavy_atoms: | 34 |
| TPSA: | 172.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD07274
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD19146
Formula: C5H13O4PS
Smiles:
COC(C)(CSC)P(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 200.2 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
