Glycoside
GD157138
Name:
3-({3,5-dihydroxy-6-methyl-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O16Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2OC2OC(C)C(O)C(OC3OC(O)C(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD50289
Formula: C16H14O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
