Glycoside
GD121097
Name:
Thalicoside AFormula:
C42H70O14Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C)=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD12488
Formula: C30H50O4
Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
