Glycoside
GD110562
Name:
NoneFormula:
C31H26O13N2Smiles:
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)ccc1OC(C)=OAglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.N#Cc1ccc(N)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 634.55 | Num_heavy_atoms: | 46 |
| TPSA: | 213.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD44039
Formula: C7H6N2
Smiles:
N#Cc1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.14 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
AD44411
Formula: C10H10O4
Smiles:
COc1cc(C=O)ccc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
