Glycoside
GD007553
Name:
NoneFormula:
C30H27O8N4ClSSmiles:
CC(=O)OC1COC(n2nc(C=Cc3ccc(Cl)cc3)c(=O)n(N=Cc3ccccc3)c2=S)C(OC(C)=O)C1OC(C)=OAglycone:
O=c1c(C=Cc2ccc(Cl)cc2)n[nH]c(=S)n1N=Cc1ccccc1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.28 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 627.08 | Num_heavy_atoms: | 43 |
| TPSA: | 140.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD06133
Formula: C19H13ON4ClS
Smiles:
O=c1c(C=Cc2ccc(Cl)cc2)n[nH]c(=S)n1N=Cc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.85 | Num_heavy_atoms: | 25 |
| TPSA: | 63.04 | NumAromaticRings: | 3 |
