Glycoside
GD142376
Name:
1-{6-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,4-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)phenyl}-3-(4-hydroxyphenyl)propan-1-oneFormula:
C32H42O18Smiles:
CC1OC(Oc2cc(O)c(C3OCC(O)C(O)C3O)c(O)c2C(=O)CCc2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 10 |
| 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 |
