Glycoside
GD038521
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-methylidene-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H50O13Smiles:
C=C1C[C@]23CC[C@@H]4[C@@](C)(C(=O)O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)CCC[C@@]4(C)[C@@H]2CC[C@]1(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
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: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.74 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00064
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
