Glycoside
GD140220
Name:
1-{2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-oneFormula:
C22H26O11Smiles:
CC1(c2c(O)ccc(C(=O)C(O)Cc3ccc(O)c(O)c3)c2O)OC(CO)C(O)C(O)C1OAglycone:
O=C(c1ccc(O)cc1O)C(O)Cc1ccc(O)c(O)c1Sugarmoiety:
CC1(O)OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 208.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD45079
Formula: C15H14O6
Smiles:
O=C(c1ccc(O)cc1O)C(O)Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
