Glycoside
GD028315
Name:
NoneFormula:
C42H58O15N8Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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(CO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 20 |
| MolWt: | 914.97 | Num_heavy_atoms: | 65 |
| TPSA: | 302.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD17713
Formula: C30H38O5N8
Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(CO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 590.69 | Num_heavy_atoms: | 43 |
| TPSA: | 144.21 | NumAromaticRings: | 3 |
