Glycoside
GD137340
Name:
3-[(6-{[1,7-dimethyl-7-(4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentyl)bicyclo[2.2.1]heptan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acidFormula:
C30H50O15Smiles:
CC(CCCC1(C)C2CCC1(C)C(OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)C2)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCCC1(C)C2CCC1(C)C(O)C2.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 14 |
| MolWt: | 650.72 | Num_heavy_atoms: | 45 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD47338
Formula: C15H28O2
Smiles:
CC(CO)CCCC1(C)C2CCC1(C)C(O)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.39 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
