Glycoside
GD027832
Name:
(25R)-12Beta,16Beta,22Beta,26-(Beta-D-Glucopyranosyl)-Tetrahydroxycholest-4-En-3-OneFormula:
C33H54O10Smiles:
C[C@@H](CC[C@@H](O)[C@@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]12C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CC(O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.79 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD18248
Formula: C27H44O5
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CC(O)C21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
