Glycoside
GD147979
Name:
NoneFormula:
C34H38O11N2Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(C)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(C)C(O)C3.Cc1ccc(O)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.68 | Num_heavy_atoms: | 47 |
| TPSA: | 200.0 | NumAromaticRings: | 5 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD51924
Formula: C21H20O4N2
Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(C)C(O)C3| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.4 | Num_heavy_atoms: | 27 |
| TPSA: | 80.39 | NumAromaticRings: | 4 |
