Glycoside
GD118553
Name:
tuberoside d1Formula:
C49H80O17Smiles:
COC1CC(OC2CCC3(C)C(CCC45OC(C)C6CCC(=O)C6(C)C(CC43)O5)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Aglycone:
CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.98 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 941.16 | Num_heavy_atoms: | 66 |
| TPSA: | 186.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47021
Formula: C21H32O4
Smiles:
CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
