Glycoside
GD119417
Name:
2-({3-[2-(3,4-dihydroxyphenyl)ethoxy]-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C20H30O12Smiles:
CC1OC(OC2C(O)C(CO)OC(O)C2OCCc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.45 | Num_heavy_atoms: | 32 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
