Glycoside
GD143067
Name:
7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6,13,14-trihydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,â¸]tetradecane-5-carboxylic acidFormula:
C18H26O16Smiles:
CC1OC2OC3C(OC(C(=O)O)C(O)C3OC3OC(C(=O)O)C(O)C(O)C3O)OC2C(O)C1OAglycone:
CC1OC2OC3C(OC(C(=O)O)C(O)C3O)OC2C(O)C1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -5.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.39 | Num_heavy_atoms: | 34 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD57554
Formula: C12H18O10
Smiles:
CC1OC2OC3C(OC(C(=O)O)C(O)C3O)OC2C(O)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 22 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
