Glycoside
GD149058
Name:
2-{[2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methoxy}-6-methyloxane-3,4,5-triolFormula:
C20H28O12Smiles:
CC1OC(OCC2OC3OCC(c4ccc(O)c(O)c4)OC3C(O)C2O)C(O)C(O)C1OAglycone:
OCC1OC2OCC(c3ccc(O)c(O)c3)OC2C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD55120
Formula: C14H18O8
Smiles:
OCC1OC2OCC(c3ccc(O)c(O)c3)OC2C(O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
