Glycoside
GD127744
Name:
6-(1,4-dihydroxybutyl)-3-{3-hydroxy-2-[2-(1-hydroxycyclohexyl)ethyl]propyl}-2-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triolFormula:
C29H46O9Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(O)CC(CO)CCC2(O)CCCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.CC(CO)CCC1(O)CCCCC1.OCCCCOSugarmoiety:
OC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 538.68 | Num_heavy_atoms: | 38 |
| 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 |
AD51743
Formula: C11H22O2
Smiles:
CC(CO)CCC1(O)CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 186.29 | Num_heavy_atoms: | 13 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
