Glycoside
GD136524
Name:
(1R,2R,3R,4R)-Suberin AFormula:
C12H20O8Smiles:
CC1(OC2OC(CO)C(O)C(O)C2O)CC2OC2C1OAglycone:
CC1(O)CC2OC2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.28 | Num_heavy_atoms: | 20 |
| TPSA: | 132.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD55191
Formula: C6H10O3
Smiles:
CC1(O)CC2OC2C1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
