Glycoside
GD002275
Name:
NoneFormula:
C25H31O8NSSmiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC1COC(O)C(O)C1O)CC2Aglycone:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(N)CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 505.59 | Num_heavy_atoms: | 35 |
| TPSA: | 126.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD02189
Formula: C20H23O4NS
Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(N)CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.47 | Num_heavy_atoms: | 26 |
| TPSA: | 70.78 | NumAromaticRings: | 2 |
