Glycoside
GD130957
Name:
NoneFormula:
C43H49O19N3Smiles:
NC1C=CC(C2C=C(NC3CCCCC3)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(NC3CCCCC3)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: | 22 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.47 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 911.87 | Num_heavy_atoms: | 65 |
| TPSA: | 373.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD53073
Formula: C37H41O13N3
Smiles:
NC1C=CC(C2C=C(NC3CCCCC3)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: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 735.74 | Num_heavy_atoms: | 53 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
