Glycoside
GD126417
Name:
Taccasteroside BFormula:
C64H106O33Smiles:
CC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 10 |
| HBD: | 20 | FractionCSP3: | 0.95 |
| AlogP: | -6.92 | Num_rotatable_bonds: | 23 |
| MolWt: | 1403.52 | Num_heavy_atoms: | 97 |
| TPSA: | 532.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD50804
Formula: C28H46O3
Smiles:
CC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C(=O)O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD06621
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O