Glycoside
GD148429
Name:
NoneFormula:
C36H45O11N3Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 695.77 | Num_heavy_atoms: | 50 |
| TPSA: | 212.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD53804
Formula: C30H33O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 515.61 | Num_heavy_atoms: | 38 |
| TPSA: | 112.98 | NumAromaticRings: | 4 |
