Glycoside
GD131517
Name:
NoneFormula:
C37H41O18N3Smiles:
CNCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC12OC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2OAglycone:
CNCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.43 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 815.74 | Num_heavy_atoms: | 58 |
| TPSA: | 353.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD53278
Formula: C31H33O12N3
Smiles:
CNCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 639.61 | Num_heavy_atoms: | 46 |
| TPSA: | 257.43 | NumAromaticRings: | 3 |
