Glycoside
GD130515
Name:
2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl acetateFormula:
C22H32O13Smiles:
CC(=O)OC1C(OCCc2ccc(O)c(O)c2)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | 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 |
