Glycoside
GD138519
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 12-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C38H60O18Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC(O)C1C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 804.88 | Num_heavy_atoms: | 56 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD09018
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC(O)C1C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
