Glycoside
GD017461
Name:
NoneFormula:
C30H29O10N4ClSSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3O)n2N=Cc2ccccc2Cl)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Oc1ccccc1-c1nnc(S)n1N=Cc1ccccc1ClSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 661.09 | Num_heavy_atoms: | 45 |
| TPSA: | 177.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD12454
Formula: C16H11ON4ClS
Smiles:
Oc1ccccc1-c1nnc(S)n1N=Cc1ccccc1Cl| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.8 | Num_heavy_atoms: | 22 |
| TPSA: | 63.3 | NumAromaticRings: | 3 |
