Glycoside
GD146048
Name:
2-[(4,5-dihydroxy-2-{[3-hydroxy-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H42O12Smiles:
C=C(C)C1CCC2=C(C1)C(C)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C2Aglycone:
C=C(C)C1CCC2=C(C1)C(C)C(O)C(O)C2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.61 | Num_heavy_atoms: | 38 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD58588
Formula: C14H22O2
Smiles:
C=C(C)C1CCC2=C(C1)C(C)C(O)C(O)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.33 | Num_heavy_atoms: | 16 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
