Glycoside
GD112869
Name:
NoneFormula:
C32H33O11NSSmiles:
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=OAglycone:
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.68 | Num_heavy_atoms: | 45 |
| TPSA: | 160.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD44789
Formula: C19H17O2NS
Smiles:
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1N| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.42 | Num_heavy_atoms: | 23 |
| TPSA: | 52.32 | NumAromaticRings: | 3 |
