Glycoside
GD011572
Name:
GLINOSIDE AFormula:
C35H58O9Smiles:
CC1(C)C(=O)CC[C@@]2(C)[C@@H]3CC(O)[C@@H]4[C@]5(C)CC[C@](O)(C(C)(C)O)[C@H]5[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)C[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CC1(C)C(=O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(O)CC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD08830
Formula: C30H50O5
Smiles:
CC1(C)C(=O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
