Glycoside
GD154101
Name:
NoneFormula:
C41H47O20N3Smiles:
NC1C=CC(C2C=C(NCCCCO)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CN1Aglycone:
NC1C=CC(C2C=C(NCCCCO)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.44 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 901.83 | Num_heavy_atoms: | 64 |
| TPSA: | 394.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD61248
Formula: C35H39O14N3
Smiles:
NC1C=CC(C2C=C(NCCCCO)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1| HBA: | 17 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.37 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 725.7 | Num_heavy_atoms: | 52 |
| TPSA: | 297.89 | NumAromaticRings: | 3 |
