Glycoside
GD138715
Name:
2-[5-(carboxymethyl)-10-hydroxy-5-methyl-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tricyclo[7.2.1.0¹,â¶]dodecan-4-yl]-2-methylpropanoic acidFormula:
C26H42O11Smiles:
CC(C)(C(=O)O)C1CCC23CC(CCC2C1(C)CC(=O)O)C(O)(COC1OC(CO)C(O)C(O)C1O)C3Aglycone:
CC(C)(C(=O)O)C1CCC23CC(CCC2C1(C)CC(=O)O)C(O)(CO)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55963
Formula: C20H32O6
Smiles:
CC(C)(C(=O)O)C1CCC23CC(CCC2C1(C)CC(=O)O)C(O)(CO)C3| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
