Glycoside
GD137207
Name:
NoneFormula:
C39H45O19N3Smiles:
CNCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)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(-c4cc(O)c(O)c(CCO)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: | 22 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.46 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 859.79 | Num_heavy_atoms: | 61 |
| TPSA: | 373.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD55444
Formula: C33H37O13N3
Smiles:
CNCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.39 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 683.67 | Num_heavy_atoms: | 49 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
