Glycoside
GD132898
Name:
NoneFormula:
C47H53O13N3Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3.Cc1ccc(O)c2ccc(O)cc12Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 14 |
| MolWt: | 867.95 | Num_heavy_atoms: | 63 |
| TPSA: | 252.82 | NumAromaticRings: | 6 |
Unique Aglycone
AD45031
Formula: C11H10O2
Smiles:
Cc1ccc(O)c2ccc(O)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 174.2 | Num_heavy_atoms: | 13 |
| TPSA: | 40.46 | NumAromaticRings: | 2 |
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 |
