Glycoside
GD142005
Name:
5-[(6-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-5-{[5-({5-[(6-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C70H118O57Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(COC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)OC(OC8C(CO)OC(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(COC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)OC(OC8C(CO)OC(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 57 | RingCount: | 12 |
| HBD: | 34 | FractionCSP3: | 1.0 |
| AlogP: | -23.82 | Num_rotatable_bonds: | 30 |
| MolWt: | 1871.66 | Num_heavy_atoms: | 127 |
| TPSA: | 900.11 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08790
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(COC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)OC(OC8C(CO)OC(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O