Glycoside
GD115125
Name:
Pittosporanoside A1Formula:
C28H44O7Smiles:
CC=C(C)C(=O)OC1C(O)C(C)OC(OC2(C)CCC3C(C4C(C)CCC42)C3(C)C)C1OC(C)=OAglycone:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C.CC=C(C)C(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 5 |
| 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 |
AD02650
Formula: C15H26O
Smiles:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
