Glycoside
GD136358
Name:
3-O-Alpha-L-Rhamnopyranosyl-(1-2)-Beta-D-Glucuronopyranosyl-22-O-Beta-D-A+Formula:
C47H76O17Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(OC7OCC(O)(CO)C7O)C6(C)CCC45C)C3(C)CO)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O.OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00828
Formula: C30H50O3
Smiles:
CC1(C)CC(O)C2(C)CCC3(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 |
