Glycoside
GD132297
Name:
6-(1,4-dihydroxybutyl)-3-[2-(1-hydroxycyclopentyl)ethyl]-2-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triolFormula:
C25H38O8Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(O)CCC2(O)CCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.CCC1(O)CCCC1.OCCCCOSugarmoiety:
OC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.57 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | 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 |
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 |
AD53557
Formula: C7H14O
Smiles:
CCC1(O)CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.19 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
