Glycoside
GD018065
Name:
1-O-Alpha-L-(Rhamnopyranosyl]-23-Acetoxy-3Beta-Acetylimberbic AcidFormula:
C40H62O11Smiles:
CC(=O)OC[C@]1(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@]43C)[C@@]2(C)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1OC(C)=OAglycone:
CC(=O)OCC1(C)C(OC(C)=O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD12807
Formula: C34H52O7
Smiles:
CC(=O)OCC1(C)C(OC(C)=O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.78 | Num_heavy_atoms: | 41 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
