Glycoside
GD024974
Name:
3-O-Β-D-Glucopyranosyl-22E,24R-5Α,8Α-Epidioxyergosta-6,22-Diene,Formula:
C34H54O8Smiles:
CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@@]34C=C[C@@]21OO4Aglycone:
CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD16608
Formula: C28H44O3
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
