Glycoside
GD111085
Name:
NoneFormula:
C39H54O15Smiles:
CC(=O)OC[C@]12CC[C@H](O[C@@H]3O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C[C@@H]1[C@@H](OC(C)=O)C[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12OAglycone:
CC(=O)OCC12CCC(O)CC1C(OC(C)=O)CC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 762.85 | Num_heavy_atoms: | 54 |
| TPSA: | 196.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD44692
Formula: C27H38O8
Smiles:
CC(=O)OCC12CCC(O)CC1C(OC(C)=O)CC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.59 | Num_heavy_atoms: | 35 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
