Glycoside
GD134484
Name:
2-{[5,8-dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methyl-decahydronaphthalen-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C27H48O15Smiles:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.67 | Num_heavy_atoms: | 42 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54402
Formula: C15H28O5
Smiles:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.38 | Num_heavy_atoms: | 20 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
