Glycoside
GD144112
Name:
4'-o-beta-d-glucose 13-hydroxyglucopiericidin aFormula:
C37H57O15NSmiles:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(OC2OC(CO)C(O)C(O)C2O)C(C)=CCO)c(C)c(OC2OC(CO)C(O)C(O)C2O)c1OCAglycone:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 17 |
| MolWt: | 755.86 | Num_heavy_atoms: | 53 |
| TPSA: | 250.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD19891
Formula: C25H37O5N
Smiles:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 431.57 | Num_heavy_atoms: | 31 |
| TPSA: | 92.04 | NumAromaticRings: | 1 |
