Glycoside
GD034209
Name:
NoneFormula:
C42H61O10N9Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(CCO[C@@H]5O[C@H](CO)[C@H](O)[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(CCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 22 |
| MolWt: | 852.0 | Num_heavy_atoms: | 61 |
| TPSA: | 226.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD16939
Formula: C36H51O5N9
Smiles:
CN(C)CCCc1cc2c3c(c(NCCCn4cc(CCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O| HBA: | 14 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 19 |
| MolWt: | 689.86 | Num_heavy_atoms: | 50 |
| TPSA: | 147.45 | NumAromaticRings: | 3 |
