Glycoside
GD138237
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,9,10-tetramethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C40H64O18Smiles:
C=C1CC23CCC4(C)C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2(C)CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4(C)C(C)(C(=O)O)CCCC4(C)C2(C)CCC1(O)C3Sugarmoiety:
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: | 0.93 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 832.93 | Num_heavy_atoms: | 58 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55820
Formula: C22H34O3
Smiles:
C=C1CC23CCC4(C)C(C)(C(=O)O)CCCC4(C)C2(C)CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
