Glycoside
GD142182
Name:
3-o-{[beta-d-glucopyranosyl-(1-2)-o]-beta-d-galactopyranoside}-16-o-beta-+Formula:
C48H80O18Smiles:
CC1(C)CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 945.15 | Num_heavy_atoms: | 66 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48513
Formula: C30H50O3
Smiles:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
