Glycoside
GD140194
Name:
(22E,24R)-5Alpha,8Alpha-Epidioxyergosta-6,9,22-Triene-3Beta-Ol-3-O-Beta-D-GlucopyranosideFormula:
C34H52O8Smiles:
CC(C)C(C)C=CC(C)C1CCC2C34C=CC5(CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C3=CCC12C)OO4Aglycone:
CC(C)C(C)C=CC(C)C1CCC2C34C=CC5(CC(O)CCC5(C)C3=CCC12C)OO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD56526
Formula: C28H42O3
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C34C=CC5(CC(O)CCC5(C)C3=CCC12C)OO4| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.64 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
