Glycoside
GD124371
Name:
1-(6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-oneFormula:
C32H42O18Smiles:
CC1OC(c2c(O)cc(OC3OC(CO)C(O)C3O)c(C(=O)CCc3ccc(O)cc3)c2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 305.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
