Glycoside
GD126851
Name:
5-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acidFormula:
C22H36O8Smiles:
COC1OC(OC)C(O)(CCC2(C)C(C)CC(O)C3(C)C(C(=O)O)=CCCC23)C1OAglycone:
CCC1(C)C(C)CC(O)C2(C)C(C(=O)O)=CCCC12Sugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.52 | Num_heavy_atoms: | 30 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51349
Formula: C16H26O3
Smiles:
CCC1(C)C(C)CC(O)C2(C)C(C(=O)O)=CCCC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.38 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
