Glycoside
GD125639
Name:
NoneFormula:
C39H42O13N2Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=[NH+]C5)C(O)C4O)c(OC4(O)CCCC(Cc5ccccc5)C4)c3O)O2)cc1Aglycone:
CC1=NC=[NH+]C1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c3O)O2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 746.77 | Num_heavy_atoms: | 54 |
| TPSA: | 228.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD50817
Formula: C4H7N2
Smiles:
CC1=NC=[NH+]C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.33 | NumAromaticRings: | 0 |
AD50818
Formula: C29H29O7
Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c3O)O2)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.54 | Num_heavy_atoms: | 36 |
| TPSA: | 105.45 | NumAromaticRings: | 3 |
