Glycoside
GD136660
Name:
2-(1,4-dihydroxybutyl)-5-(pentyloxy)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C23H36O7Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2OCCCCC)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCCCO.OCCCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD00473
Formula: C9H10O
Smiles:
C=CCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07311
Formula: C5H12O
Smiles:
CCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD09062
Formula: C4H10O2
Smiles:
OCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
