Glycoside
GD025310
Name:
NoneFormula:
C47H69O15N9Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(CO[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(CO)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: | 24 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 24 |
| MolWt: | 1000.12 | Num_heavy_atoms: | 71 |
| TPSA: | 305.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD16798
Formula: C35H49O5N9
Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(CO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O| HBA: | 14 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 18 |
| MolWt: | 675.83 | Num_heavy_atoms: | 49 |
| TPSA: | 147.45 | NumAromaticRings: | 3 |
