Glycoside
GD157611
Name:
NoneFormula:
C42H45O12N3Smiles:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 783.83 | Num_heavy_atoms: | 57 |
| TPSA: | 242.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD62299
Formula: C36H35O6N3
Smiles:
O=C(O)C1C(CC23CCCC2CCc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 605.69 | Num_heavy_atoms: | 45 |
| TPSA: | 143.02 | NumAromaticRings: | 3 |
