Glycoside
GD030777
Name:
NoneFormula:
C36H44O15Smiles:
CCC(CC)CC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(CC)CC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 15 |
| MolWt: | 716.73 | Num_heavy_atoms: | 51 |
| TPSA: | 205.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD19904
Formula: C30H36O9
Smiles:
CCC(CC)CC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 540.61 | Num_heavy_atoms: | 39 |
| TPSA: | 109.75 | NumAromaticRings: | 3 |
