Glycoside
GD152629
Name:
3-{2-[5-({3,4-dihydroxy-5-[(3-methylbut-2-enoyl)oxy]oxan-2-yl}oxy)-3-methylpentyl]-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl}propanoic acidFormula:
C30H48O8Smiles:
C=C(C)C1CC=C(C)C(CCC(C)CCOC2OCC(OC(=O)C=C(C)C)C(O)C2O)C1(C)CCC(=O)OAglycone:
C=C(C)C1CC=C(C)C(CCC(C)CCO)C1(C)CCC(=O)O.CC(C)=CC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 536.71 | Num_heavy_atoms: | 38 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00258
Formula: C5H8O2
Smiles:
CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD60757
Formula: C20H34O3
Smiles:
C=C(C)C1CC=C(C)C(CCC(C)CCO)C1(C)CCC(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
