Glycoside
GD129250
Name:
2-(6-hydroxy-4a-methyl-8-methylidene-8a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-2-yl)prop-2-enoic acidFormula:
C21H32O9Smiles:
C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52361
Formula: C15H22O4
Smiles:
C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2(O)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
