Glycoside
GD142028
Name:
Vertihemipterin AFormula:
C31H43O10ClSmiles:
COC1C(CO)OC(OC(CC2(C)C(C)CCC(=O)C2C)C(C)=CCc2c(O)c(Cl)c(C)c(C=O)c2O)C(O)C1OAglycone:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1CSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.12 | Num_heavy_atoms: | 41 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD44614
Formula: C24H31O5Cl
Smiles:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.95 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
