Glycoside
GD148456
Name:
NoneFormula:
C66H117O24ClSmiles:
C=C(CCC(O)C1OC(CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CCCC(O)CCCC(O)CC(=O)CC(O)CCCO)C(O)C(O)C1O)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCC=CC=CCl)O1Aglycone:
C=C(CCCO)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCC=CC=CCl)O1.CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CCCC(O)CCCC(O)CC(=O)CC(O)CCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 2 |
| HBD: | 21 | FractionCSP3: | 0.86 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 49 |
| MolWt: | 1318.08 | Num_heavy_atoms: | 90 |
| TPSA: | 460.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD59019
Formula: C34H68O12
Smiles:
CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CCCC(O)CCCC(O)CC(=O)CC(O)CCCO| HBA: | 12 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.97 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 29 |
| MolWt: | 668.91 | Num_heavy_atoms: | 46 |
| TPSA: | 239.6 | NumAromaticRings: | 0 |
AD59404
Formula: C27H43O8Cl
Smiles:
C=C(CCCO)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCC=CC=CCl)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 519.08 | Num_heavy_atoms: | 35 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
