Glycoside
GD136282
Name:
13-hydroxy-4-methyl-14-methylidene-5-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[11.2.1.1â´,â·.0¹,¹â°.0³,â¹]heptadec-8-ene-2-carboxylic acidFormula:
C25H32O11Smiles:
C=C1CC23CC1(O)CCC2C1=CC2OC(=O)C(C)(C2OC2OC(CO)C(O)C(O)C2O)C1C3C(=O)OAglycone:
C=C1CC23CC1(O)CCC2C1=CC2OC(=O)C(C)(C2O)C1C3C(=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
AD55083
Formula: C19H22O6
Smiles:
C=C1CC23CC1(O)CCC2C1=CC2OC(=O)C(C)(C2O)C1C3C(=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 |
