Glycoside
GD126721
Name:
Pittosporanoside B2Formula:
C28H44O7Smiles:
CC=C(C)C(=O)OC1C(OC2C=C(C)CCC=C(C)CCC2C(C)C)OC(C)C(OC(C)=O)C1OAglycone:
CC1=CC(O)C(C(C)C)CCC(C)=CCC1.CC=C(C)C(=O)OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.65 | Num_heavy_atoms: | 35 |
| TPSA: | 91.29 | 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 |
AD47086
Formula: C15H26O
Smiles:
CC1=CC(O)C(C(C)C)CCC(C)=CCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
