Glycoside
GD117477
Name:
6''-o-3-hydroxy-3-methylglutaroylorientinFormula:
C27H28O15Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 264.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
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 |
