Glycoside
GD131758
Name:
NoneFormula:
C48H51O14N3Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)C=CC12C1(c2ccccc2O)CCCCC1Aglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)C=CC12C1(c2ccccc2O)CCCCC1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 893.94 | Num_heavy_atoms: | 65 |
| TPSA: | 282.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD53366
Formula: C42H41O8N3
Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C1(C(=O)O)C=C1CC(CO)C=CC12C1(c2ccccc2O)CCCCC1| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 715.8 | Num_heavy_atoms: | 53 |
| TPSA: | 183.48 | NumAromaticRings: | 3 |
