Glycoside
GD108850
Name:
NoneFormula:
C32H42O13Smiles:
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4[C@@H](O)C[C@H]23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
O=C1C=C2CCC3C4CCC(C(=O)CO)C4CC(O)C3C2CC1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.68 | Num_heavy_atoms: | 45 |
| TPSA: | 178.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD44496
Formula: C19H26O4
Smiles:
O=C1C=C2CCC3C4CCC(C(=O)CO)C4CC(O)C3C2CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.41 | Num_heavy_atoms: | 23 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
