Glycoside
GD114671
Name:
NoneFormula:
C44H54O20N2Smiles:
CCC1=CC(C2CC(CCC(C)C)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2CC(CCC(C)C)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.52 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 930.91 | Num_heavy_atoms: | 66 |
| TPSA: | 382.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD45201
Formula: C38H46O13N2
Smiles:
CCC1=CC(C2CC(CCC(C)C)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1N| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.47 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 738.79 | Num_heavy_atoms: | 53 |
| TPSA: | 265.63 | NumAromaticRings: | 3 |
