Glycoside
GD130553
Name:
4,5,6,7,8-pentahydroxy-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]nonanoic acidFormula:
C15H28O13Smiles:
CC(O)C(O)C(O)C(O)C(O)CC(OCC1OC(O)C(O)C(O)C1O)C(=O)OAglycone:
COC(C)C(=O)OSugarmoiety:
CC(O)C(O)C(O)C(O)C(O)O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -5.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 416.38 | Num_heavy_atoms: | 28 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52907
Formula: C4H8O3
Smiles:
COC(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
