Glycoside
GD151578
Name:
Tricalysioside ZFormula:
C32H52O15Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)C3CCC4CC3(CCC12)CC4(O)COAglycone:
CC1(C(=O)O)CCC(O)C2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.75 | Num_heavy_atoms: | 47 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45529
Formula: C20H32O5
Smiles:
CC1(C(=O)O)CCC(O)C2(C)C3CCC4CC3(CCC12)CC4(O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
