Glycoside
GD152262
Name:
Hymenoratin B 2-O-[6'-O-Acetyl-Beta-D-Glucopyranoside]Formula:
C28H42O12Smiles:
C=C1C(=O)OC2CC(C)C3C(OC4OC(COC(C)=O)C(O)C(O)C4O)COC(OC(=O)C(C)CC)C3(C)CC12Aglycone:
C=C1C(=O)OC2CC(C)C3C(O)COC(OC(=O)C(C)CC)C3(C)CC12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.63 | Num_heavy_atoms: | 40 |
| TPSA: | 167.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD60641
Formula: C20H30O6
Smiles:
C=C1C(=O)OC2CC(C)C3C(O)COC(OC(=O)C(C)CC)C3(C)CC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
