Glycoside
GD018355
Name:
SORBINICATEFormula:
C42H32O12N6Smiles:
O=C(OC[C@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@H](COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1Aglycone:
O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1Sugarmoiety:
OOCC(OO)C(OO)C(OO)C(COO)OOOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 17 |
| MolWt: | 812.75 | Num_heavy_atoms: | 60 |
| TPSA: | 235.14 | NumAromaticRings: | 6 |
Unique Aglycone
AD12964
Formula: C6H5ON
Smiles:
O=Cc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 107.11 | Num_heavy_atoms: | 8 |
| TPSA: | 29.96 | NumAromaticRings: | 1 |
