Glycoside
GD148707
Name:
11-methyl-6-methylidene-16-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadec-12-ene-9-carboxylic acidFormula:
C25H32O10Smiles:
C=C1CC23CC1(OC1OC(CO)C(O)C(O)C1O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)OAglycone:
C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59494
Formula: C19H22O5
Smiles:
C=C1CC23CC1(O)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.38 | Num_heavy_atoms: | 24 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
