Glycoside
GD033100
Name:
NoneFormula:
C42H60O13N8Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(COCCOCCOCCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OAglycone:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(COCCOCCOCCO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 26 |
| MolWt: | 884.99 | Num_heavy_atoms: | 63 |
| TPSA: | 251.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD16941
Formula: C36H50O8N8
Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(COCCOCCOCCO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O| HBA: | 16 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 23 |
| MolWt: | 722.84 | Num_heavy_atoms: | 52 |
| TPSA: | 171.9 | NumAromaticRings: | 3 |
