Glycoside
GD147329
Name:
12-hydroxy-4-methyl-13-methylidene-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[10.2.1.0¹,â¹.0³,â¸]pentadeca-6,8-diene-2,4-dicarboxylic acidFormula:
C25H32O11Smiles:
C=C1CC23CC1(O)CCC2=C1C=CC(OC2OC(CO)C(O)C(O)C2O)C(C)(C(=O)O)C1C3C(=O)OAglycone:
C=C1CC23CC1(O)CCC2=C1C=CC(O)C(C)(C(=O)O)C1C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59010
Formula: C19H22O6
Smiles:
C=C1CC23CC1(O)CCC2=C1C=CC(O)C(C)(C(=O)O)C1C3C(=O)O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
