Glycoside
GD028865
Name:
NoneFormula:
C53H81O18N9Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(COCCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=OAglycone:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(COCCOCCOCCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 33 |
| MolWt: | 1132.28 | Num_heavy_atoms: | 80 |
| TPSA: | 333.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD18820
Formula: C41H61O8N9
Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(COCCOCCOCCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O| HBA: | 17 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 27 |
| MolWt: | 807.99 | Num_heavy_atoms: | 58 |
| TPSA: | 175.14 | NumAromaticRings: | 3 |
