Glycoside
GD147082
Name:
2,5-Bornanediol; (1R,2S,5R)-Form, 2-O-[3S-Hydroxy-3-Methylglutaroyl-(->6)-β-D-Glucopyranoside]Formula:
C22H36O11Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2CC3C(O)CC2(C)C3(C)C)C(O)C(O)C1OAglycone:
CC1(C)C2CC(O)C1(C)CC2O.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD45477
Formula: C10H18O2
Smiles:
CC1(C)C2CC(O)C1(C)CC2O| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
