Glycoside
GD120120
Name:
bridgeside e2Formula:
C52H78O22Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1OC(C)=O)C(=O)O3Aglycone:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1OC(C)=O)C(=O)O3Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 1055.17 | Num_heavy_atoms: | 74 |
| TPSA: | 333.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD48219
Formula: C34H50O7
Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1OC(C)=O)C(=O)O3| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
