Glycoside
GD010291
Name:
NoneFormula:
C33H54O7SSmiles:
CC(=O)C1CCC2C3CC=C4CC(OCCCCCCSC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 594.86 | Num_heavy_atoms: | 41 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD07976
Formula: C27H44O2S
Smiles:
CC(=O)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 7.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.71 | Num_heavy_atoms: | 30 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
