Glycoside
GD135265
Name:
Concinnasteoside AFormula:
C39H64O14Smiles:
CC(C)CC(=O)CC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3C(=O)CC4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21CAglycone:
CC(C)CC(=O)CC(C)C1C(O)CC2C3C(=O)CC4CC(O)CC(O)C4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD54696
Formula: C27H44O5
Smiles:
CC(C)CC(=O)CC(C)C1C(O)CC2C3C(=O)CC4CC(O)CC(O)C4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
