Glycoside
GD005178
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]decan-5-yl 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C31H46O18Smiles:
C[C@@H]1CCC2C(C(=O)O[C@@H]3C4CCO[C@H](OC5OC(CO)C(O)C(O)C5O)C4[C@]4(CO)O[C@H]34)=CO[C@H](OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1CCC2C(C(=O)OC3C4CCOC(O)C4C4(CO)OC34)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.69 | Num_heavy_atoms: | 49 |
| TPSA: | 276.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD04423
Formula: C19H26O8
Smiles:
CC1CCC2C(C(=O)OC3C4CCOC(O)C4C4(CO)OC34)=COC(O)C12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 0 |
