Glycoside
GD120011
Name:
3-({2-carboxy-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-6-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C33H52O29Smiles:
CC1(C(=O)O)OCC2OC(OC3C(C(=O)O)OC(OC4C(O)C(CO)OC(OC5C(OC6C(O)C(O)OC(CO)C6O)OC(CO)C(O)C5O)C4O)C(O)C3O)C(O)C(O)C2O1Aglycone:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1Sugarmoiety:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)C(O)OC(CO)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.94 |
| AlogP: | -10.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 912.75 | Num_heavy_atoms: | 62 |
| TPSA: | 459.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD23779
Formula: C9H14O8
Smiles:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.2 | Num_heavy_atoms: | 17 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Sugarmoiety
SD05542
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)C(O)OC(CO)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O