Glycoside
GD120892
Name:
2-[2-(1-hydroperoxy-2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O15Smiles:
CC1(C)C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C3CCC(C)(C(O)COC4OC(CO)C(O)C(O)C4O)C(OO)C3=CCC12Aglycone:
CC1(C)C(O)CCC2(C)C3CCC(C)(C(O)CO)C(OO)C3=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.77 | Num_heavy_atoms: | 47 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48609
Formula: C20H34O5
Smiles:
CC1(C)C(O)CCC2(C)C3CCC(C)(C(O)CO)C(OO)C3=CCC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
