Glycoside
GD015745
Name:
NoneFormula:
C29H30O10N4SSmiles:
COc1cc(C=Nn2c(-c3ccccc3)nn(C3O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(C)=O)c2=S)ccc1OAglycone:
COc1cc(C=Nn2c(-c3ccccc3)n[nH]c2=S)ccc1OSugarmoiety:
CC(=O)OC1OC(O)C(C(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.64 | Num_heavy_atoms: | 44 |
| TPSA: | 169.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD11405
Formula: C16H14O2N4S
Smiles:
COc1cc(C=Nn2c(-c3ccccc3)n[nH]c2=S)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.38 | Num_heavy_atoms: | 23 |
| TPSA: | 75.43 | NumAromaticRings: | 3 |
