Glycoside
GD128021
Name:
2-[4-(1,3-dihydroxy-2-{2-hydroxy-3-methoxy-5-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenyl}propyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H56O21Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(C(CO)C(O)c5cc(OC)c(OC6OC(CO)C(O)C(O)C6O)c(OC)c5)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(C(CO)C(O)c5cc(OC)c(O)c(OC)c5)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.58 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 908.9 | Num_heavy_atoms: | 64 |
| TPSA: | 314.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD51862
Formula: C31H36O11
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(C(CO)C(O)c5cc(OC)c(O)c(OC)c5)c4)OCC23)ccc1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 156.53 | NumAromaticRings: | 3 |
