Glycoside
GD124599
Name:
3-hydroxy-3-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-({6-hydroxy-2-oxo-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-7-yl}oxy)oxan-2-yl]methoxy}pentanoic acidFormula:
C30H28O16Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2cc3oc(=O)c(Oc4ccc5ccc(=O)oc5c4)cc3cc2O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1ccc2ccc(Oc3cc4cc(O)c(O)cc4oc3=O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.54 | Num_heavy_atoms: | 46 |
| TPSA: | 252.86 | NumAromaticRings: | 4 |
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 |
AD50349
Formula: C18H10O7
Smiles:
O=c1ccc2ccc(Oc3cc4cc(O)c(O)cc4oc3=O)cc2o1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.27 | Num_heavy_atoms: | 25 |
| TPSA: | 110.11 | NumAromaticRings: | 4 |
