Glycoside
GD127528
Name:
2-(hydroxymethyl)-6-(4-{2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl}-2,6-dimethoxyphenoxy)oxane-3,4,5-triolFormula:
C34H48O18Smiles:
COc1cc(C=CCO)cc(OC)c1OC(COC1OC(CO)C(O)C(O)C1O)Cc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(CC(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 17 |
| MolWt: | 744.74 | Num_heavy_atoms: | 52 |
| TPSA: | 265.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD51643
Formula: C22H28O8
Smiles:
COc1cc(CC(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
