Glycoside
GD151430
Name:
5-({3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C33H40O17Smiles:
CC1OC(OC2C(c3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=C1CC(c2ccc(O)cc2)Oc2cccc(O)c21Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.67 | Num_heavy_atoms: | 50 |
| TPSA: | 279.43 | NumAromaticRings: | 2 |
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 |
AD58520
Formula: C15H12O4
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cccc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
