Glycoside
GD001321
Name:
NoneFormula:
C23H33O5NS3Smiles:
O=C(CCCCC1CCSS1)NCC1OC(SCC=Cc2ccccc2)C(O)C(O)C1OAglycone:
CNC(=O)CCCCC1CCSS1.SCC=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 499.72 | Num_heavy_atoms: | 32 |
| TPSA: | 99.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD01353
Formula: C9H17ONS2
Smiles:
CNC(=O)CCCCC1CCSS1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 219.38 | Num_heavy_atoms: | 13 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01354
Formula: C9H10S
Smiles:
SCC=Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.25 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
