Glycoside
GD107758
Name:
Hydrangenoside CFormula:
C29H38O12Smiles:
C=C[C@H]1[C@H](C[C@@H]2CC(=O)C[C@H](CCc3ccc(O)cc3)O2)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.61 | Num_heavy_atoms: | 41 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD03002
Formula: C23H28O7
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
