Glycoside
GD003608
Name:
NoneFormula:
C28H28O10N2SSmiles:
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.6 | Num_heavy_atoms: | 41 |
| TPSA: | 141.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03260
Formula: C14H10ON2S
Smiles:
O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.31 | Num_heavy_atoms: | 18 |
| TPSA: | 37.79 | NumAromaticRings: | 3 |
