Glycoside
GD129254
Name:
tuberoside a2Formula:
C42H66O14Smiles:
COC1CC(OC2CCC3(C)C(=CCC45OC(C)C6CCC(=O)C6(C)C(CC43)O5)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC1OC23CC=C4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 159.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45358
Formula: C21H30O4
Smiles:
CC1OC23CC=C4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
