Glycoside
GD006161
Name:
NoneFormula:
C39H68O5SSmiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCSC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 8.53 | Num_rotatable_bonds: | 14 |
| MolWt: | 649.03 | Num_heavy_atoms: | 45 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD01621
Formula: C33H58OS
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 502.89 | Num_heavy_atoms: | 35 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
