Glycoside
GD143417
Name:
10-hydroxy-7,7,12,16-tetramethyl-15-(6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-5-en-4-oneFormula:
C41H66O13Smiles:
CC(CCC(OC1OCC(O)C(O)C1O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3C(O)CC4C(C)(C)C=CC(=O)C45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C=CC(=O)C45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00076
Formula: C30H48O4
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C=CC(=O)C45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
