Glycoside
GD145862
Name:
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O13Smiles:
CC1OC(OC2C(c3ccc(O)c4c3OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cccc(O)c21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
