Glycoside
GD157024
Name:
Tyrianthin 7Formula:
C45H78O21Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC3OC(C)C(O)C(O)C3O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)OAglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 955.1 | Num_heavy_atoms: | 66 |
| TPSA: | 308.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD55345
Formula: C39H68O17
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C(C)O| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 808.96 | Num_heavy_atoms: | 56 |
| TPSA: | 249.59 | NumAromaticRings: | 0 |
