Glycoside
GD110081
Name:
NoneFormula:
C32H44O10NClSmiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1OAglycone:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.14 | Num_heavy_atoms: | 43 |
| TPSA: | 182.85 | 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 |
