Glycoside
GD110718
Name:
NoneFormula:
C32H33O12NSSmiles:
CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COc1ccc(C(=O)Cc2csc(-c3ccccc3)n2)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 655.68 | Num_heavy_atoms: | 46 |
| TPSA: | 173.85 | 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 |
AD44664
Formula: C18H15O3NS
Smiles:
COc1ccc(C(=O)Cc2csc(-c3ccccc3)n2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.39 | Num_heavy_atoms: | 23 |
| TPSA: | 59.42 | NumAromaticRings: | 3 |
