Glycoside
GD139548
Name:
16-ethyl-6-hydroxy-5,7,9-trimethyl-15-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1-oxacyclohexadeca-3,11,13-triene-2,10-dioneFormula:
C27H42O9Smiles:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1COC1OC(C)C(O)C(O)C1OAglycone:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53655
Formula: C21H32O5
Smiles:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
