Glycoside
GD133642
Name:
Aloeresin HFormula:
C38H42O17Smiles:
Cc1cc(O)c(-c2cc(=O)c3c(C)cc(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)c(CC(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2O)c1Aglycone:
Cc1cc(O)c(-c2cc(=O)c3c(C)cc(O)cc3o2)c(CC(=O)c2c(C)cc(O)cc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.74 | Num_heavy_atoms: | 55 |
| TPSA: | 308.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD49541
Formula: C26H22O7
Smiles:
Cc1cc(O)c(-c2cc(=O)c3c(C)cc(O)cc3o2)c(CC(=O)c2c(C)cc(O)cc2O)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.46 | Num_heavy_atoms: | 33 |
| TPSA: | 128.2 | NumAromaticRings: | 4 |
