Glycoside
GD010273
Name:
NoneFormula:
C31H33O10N3S2Smiles:
CC(=O)OCC1OC(NC(=S)CCSc2nc3ccccc3c(=O)n2-c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC(=S)CCSc1nc2ccccc2c(=O)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 671.75 | Num_heavy_atoms: | 46 |
| TPSA: | 161.35 | 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 |
AD07961
Formula: C17H15ON3S2
Smiles:
NC(=S)CCSc1nc2ccccc2c(=O)n1-c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.46 | Num_heavy_atoms: | 23 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
