Glycoside
GD152638
Name:
5-hydroxy-11-methyl-6-methylidene-16-oxo-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadec-13-ene-9-carboxylic acidFormula:
C25H32O11Smiles:
C=C1CC23CC1(O)CCC2C12C=CC(OC4OC(CO)C(O)C(O)C4O)C(C)(C(=O)O1)C2C3C(=O)OAglycone:
C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60761
Formula: C19H22O6
Smiles:
C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
