Glycoside
GD114901
Name:
Telosmoside A9Formula:
C54H90O22Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12CAglycone:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 16 |
| MolWt: | 1091.29 | Num_heavy_atoms: | 76 |
| TPSA: | 306.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD45352
Formula: C28H46O7
Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.67 | Num_heavy_atoms: | 35 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
