Glycoside
GD119779
Name:
6a,6b,9,9,12a-pentamethyl-2-methylidene-10-{[3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-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:
C36H54O9Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 630.82 | Num_heavy_atoms: | 45 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD05107
Formula: C29H44O3
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
