Glycoside
GD128611
Name:
Tricalysioside AFormula:
C26H38O10Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC21)C(CO)(OC1OC(CO)C(O)C(O)C1O)C3OAglycone:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC21)C(O)(CO)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52096
Formula: C20H28O5
Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC21)C(O)(CO)C3O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
