Glycoside
GD110938
Name:
NoneFormula:
C30H30O8NClSmiles:
CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2C1Aglycone:
CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.01 | Num_heavy_atoms: | 39 |
| TPSA: | 138.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD44682
Formula: C24H22O2NCl
Smiles:
CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.89 | Num_heavy_atoms: | 27 |
| TPSA: | 42.23 | NumAromaticRings: | 3 |
