Glycoside
GD149226
Name:
15-hydroxy-9-methyl-14-methylidene-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5,5-dicarboxylic acidFormula:
C26H38O11Smiles:
C=C1C2CCC3C4(C)CC(OC5OC(CO)C(O)C(O)C5O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1OAglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.58 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01937
Formula: C20H28O6
Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.44 | Num_heavy_atoms: | 26 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
