Glycoside
GD133679
Name:
5,9-dimethyl-14-methylidene-15-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylic acidFormula:
C25H38O7Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC1OCC(O)C(O)C1OAglycone:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.57 | Num_heavy_atoms: | 32 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD08291
Formula: C20H30O3
Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
