Glycoside
GD145638
Name:
Mukaadial 6-O-Beta-D-GlucopyranosideFormula:
C21H32O9Smiles:
CC1(C)CCCC2(C)C1C(OC1OC(CO)C(O)C(O)C1O)C=C(C=O)C2(O)C=OAglycone:
CC1(C)CCCC2(C)C1C(O)C=C(C=O)C2(O)C=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56729
Formula: C15H22O4
Smiles:
CC1(C)CCCC2(C)C1C(O)C=C(C=O)C2(O)C=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
