Glycoside
GD155071
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 15-[3,5-dihydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylateFormula:
C43H72O17Smiles:
CC(C(O)CC(O)(COC1OC(CO)C(O)C(O)C1O)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12CAglycone:
CC(C(O)CC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 861.03 | Num_heavy_atoms: | 60 |
| TPSA: | 296.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52079
Formula: C31H52O7
Smiles:
CC(C(O)CC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.75 | Num_heavy_atoms: | 38 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
