Glycoside
GD018485
Name:
WITHALONGOLIDESAPONINFormula:
C33H46O10Smiles:
CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)c5cccc(O)c5[C@H]4CC[C@@]23C)OC1=OAglycone:
CC1=C(CO)CC(C(C)C2CCC3C4CC(O)c5cccc(O)c5C4CCC23C)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 602.72 | Num_heavy_atoms: | 43 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD13038
Formula: C27H36O5
Smiles:
CC1=C(CO)CC(C(C)C2CCC3C4CC(O)c5cccc(O)c5C4CCC23C)OC1=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 440.58 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
