Glycoside
GD140790
Name:
5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl 5,9,13-trimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹â´.0¹,¹â°.0â´,â¹]heptadecane-5-carboxylateFormula:
C38H60O18Smiles:
CC12CC34CCC5C(C)(C(=O)OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCCC5(C)C3C(CC1C4)O2Aglycone:
CC12CC34CCC5C(C)(C(=O)O)CCCC5(C)C3C(CC1C4)O2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 804.88 | Num_heavy_atoms: | 56 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56763
Formula: C20H30O3
Smiles:
CC12CC34CCC5C(C)(C(=O)O)CCCC5(C)C3C(CC1C4)O2| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
