Glycoside
GD157427
Name:
NoneFormula:
C31H41O11N2Smiles:
Cc1cc(=O)c2cc3c(c(CCCO)c2o1)OC(C)(C)C(OOCC(O)C(O)(CN1C=CC2=[NH+]C=CC21)C(O)C(O)CO)C3Aglycone:
CN1C=CC2=[NH+]C=CC21.Cc1cc(=O)c2cc3c(c(CCCO)c2o1)OC(C)(C)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 617.67 | Num_heavy_atoms: | 44 |
| TPSA: | 196.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD45577
Formula: C18H22O5
Smiles:
Cc1cc(=O)c2cc3c(c(CCCO)c2o1)OC(C)(C)C(O)C3| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
AD47386
Formula: C7H9N2
Smiles:
CN1C=CC2=[NH+]C=CC21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.16 | Num_heavy_atoms: | 9 |
| TPSA: | 17.21 | NumAromaticRings: | 0 |
