Glycoside
GD010171
Name:
NoneFormula:
C38H52O16Smiles:
CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O[C@@H]1C[C@H](O[C@@H]2C[C@H](O)[C@H](OC(C)=O)[C@H](C)O2)[C@H](O)[C@H](C)O1)C(C(OC)C(=O)C(O)C(C)O)C3Aglycone:
CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC(=O)OC1C(O)CC(OC2CC(O)OC(C)C2O)OC1C.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 764.82 | Num_heavy_atoms: | 54 |
| TPSA: | 248.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD07896
Formula: C18H20O5
Smiles:
CCC(C)c1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
