Glycoside
GD152959
Name:
Rubinaphthin DFormula:
C28H36O17Smiles:
CC(C(=O)O)C(O)Cc1c(C(=O)O)c(O)c2ccccc2c1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C(=O)O)C(O)Cc1c(C(=O)O)c(O)c2ccccc2c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.58 | Num_heavy_atoms: | 45 |
| TPSA: | 293.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD56310
Formula: C16H16O7
Smiles:
CC(C(=O)O)C(O)Cc1c(C(=O)O)c(O)c2ccccc2c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
