Glycoside
GD116033
Name:
6-(1,4-dihydroxybutyl)-3-[5-hydroxy-2-(1-hydroxycyclopentyl)pentyl]-2-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triolFormula:
C28H44O9Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(O)CC(CCCO)C2(O)CCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.CC(CCCO)C1(O)CCCC1.OCCCCOSugarmoiety:
OC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 14 |
| MolWt: | 524.65 | Num_heavy_atoms: | 37 |
| TPSA: | 160.07 | 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 |
AD46013
Formula: C10H20O2
Smiles:
CC(CCCO)C1(O)CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
