Glycoside
GD154283
Name:
Beta-D-Glucopyranosyl-15Alpha-(3-Hydroxyl-3-Methylbutanoyloxy)-Ent-16-Kau+Formula:
C31H48O10Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C4CCC3(C2)C1OC(=O)CC(C)(C)OAglycone:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(=O)CC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.72 | Num_heavy_atoms: | 41 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD61299
Formula: C25H38O5
Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(=O)CC(C)(C)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.57 | Num_heavy_atoms: | 30 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
