Glycoside
GD028575
Name:
NoneFormula:
C39H64O5SSmiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCC#CCCSC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCC#CCCS)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 645.0 | Num_heavy_atoms: | 45 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD18657
Formula: C33H54OS
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCC#CCCS)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 9.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.86 | Num_heavy_atoms: | 35 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
