Glycoside
GD151561
Name:
1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C34H54O8Smiles:
CC1(O)CCCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
CC1(O)CCCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55145
Formula: C29H46O4
Smiles:
CC1(O)CCCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
