Glycoside
GD142712
Name:
3beta-o-{[beta-d-glucopyranosyl-(1-2)][alpha-l-arabinofuranosyl(1-4)]-bet+Formula:
C63H100O23Smiles:
CCC(C)C(=O)OC1C(OC(=O)C=C(C)CCC=C(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COAglycone:
CCC(C)C(=O)OC1C(OC(=O)C=C(C)CCC=C(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COSugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.86 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 18 |
| MolWt: | 1225.47 | Num_heavy_atoms: | 86 |
| TPSA: | 356.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD02207
Formula: C45H72O8
Smiles:
CCC(C)C(=O)OC1C(OC(=O)C=C(C)CCC=C(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 7.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 741.06 | Num_heavy_atoms: | 53 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
