Glycoside
GD127539
Name:
3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acidFormula:
C35H56O7Smiles:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC4OCC(O)C(O)C4O)CCC23C)C1(C)CCC(=O)OAglycone:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(O)CCC23C)C1(C)CCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48467
Formula: C30H48O3
Smiles:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(O)CCC23C)C1(C)CCC(=O)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
