Glycoside
GD154490
Name:
6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-{[3-hydroxy-3-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[3-hydroxy-3-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)propanoateFormula:
C33H44O17Smiles:
O=C(CCc1ccc(O)c(O)c1)OC1C(COC2OCCC2(O)CO)OC(OCCc2ccc(O)c(O)c2)C(O)C1OC1OCCC1(O)COAglycone:
O=C(O)CCc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)CCOC1OCC1OC(O)C(O)C(OC2OCCC2(O)CO)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 15 |
| MolWt: | 712.7 | Num_heavy_atoms: | 50 |
| TPSA: | 263.75 | NumAromaticRings: | 2 |
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 |
AD45057
Formula: C9H10O4
Smiles:
O=C(O)CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
