Glycoside
GD149112
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-methylidene-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H50O13Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CC(OC5OC(CO)C(O)C(O)C5O)CC4(C)C2CCC1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CC(O)CC4(C)C2CCC1C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.74 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD59629
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CC(O)CC4(C)C2CCC1C3| 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 |
