Glycoside
GD117652
Name:
2-(hydroxymethyl)-6-{[3-(hydroxymethyl)-5-(3-hydroxypropyl)-2-{3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-2,3-dihydro-1-benzofuran-7-yl]oxy}oxane-3,4,5-triolFormula:
C31H42O15Smiles:
COc1cc(C2Oc3c(OC4OC(CO)C(O)C(O)C4O)cc(CCCO)cc3C2CO)ccc1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 654.66 | Num_heavy_atoms: | 46 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01816
Formula: C19H22O6
Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
