Glycoside
GD157634
Name:
(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-methylbut-2-enoateFormula:
C29H48O22Smiles:
CC=C(C)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC=C(C)C(=O)OCSugarmoiety:
OCC1OC(OC2C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.9 |
| AlogP: | -8.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 748.68 | Num_heavy_atoms: | 51 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45418
Formula: C6H10O2
Smiles:
CC=C(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
