Glycoside
GD127941
Name:
Tricalysioside DFormula:
C31H46O13Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(CO)(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C3Aglycone:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.7 | Num_heavy_atoms: | 44 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD21776
Formula: C20H28O4
Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
