Glycoside
GD034957
Name:
NoneFormula:
C30H30O9N4SSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Sc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.66 | Num_heavy_atoms: | 44 |
| TPSA: | 160.93 | NumAromaticRings: | 4 |
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 |
AD22160
Formula: C16H12N4S
Smiles:
Sc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 292.37 | Num_heavy_atoms: | 21 |
| TPSA: | 46.5 | NumAromaticRings: | 4 |
