Glycoside
GD157480
Name:
2-[4-(2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1,3-dihydroxypropyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H60O23Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1OC(CO)C(O)c1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 19 |
| MolWt: | 968.95 | Num_heavy_atoms: | 68 |
| TPSA: | 322.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD48487
Formula: C33H40O13
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)cc(OC)c1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 644.67 | Num_heavy_atoms: | 46 |
| TPSA: | 163.99 | NumAromaticRings: | 3 |
