Glycoside
GD120366
Name:
6-{6,18-dihydroxy-7,7,12,16-tetramethyl-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-2-methylheptan-3-oneFormula:
C35H58O8Smiles:
CC(C)C(=O)CCC(C)C1C(OC2OCC(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CAglycone:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45523
Formula: C30H50O4
Smiles:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
