Glycoside
GD136648
Name:
Mbas#3Formula:
C20H32O7Smiles:
CC=C(C)C(=O)OC1CC(O)C(OC(C)CCCCC=CC(=O)O)OC1CAglycone:
CC(O)CCCCC=CC(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD10167
Formula: C9H16O3
Smiles:
CC(O)CCCCC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
