Glycoside
GD014421
Name:
1-O-[Alpha-L-(Rhamnopyranosyl]-23-Acetoxyimberbic Acid 29-Methyl EsterFormula:
C39H62O10Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](CC[C@]43C)[C@@](C)(COC(C)=O)[C@@H](O)C[C@H]5O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(COC(C)=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 690.92 | Num_heavy_atoms: | 49 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD10606
Formula: C33H52O6
Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(COC(C)=O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
