Glycoside

GD008983
Name:
NoneFormula:
C48H70O13Smiles:
CC(=O)OC1C(O[C@@H]2CC3C4CC=C5C[C@H](O)CC[C@@]5(C)C4CC[C@@]3(C)C2=C(C)COC(=O)CCC(C)C)OCC(O)C1OC1OCC(O)C(O)C1OC(C)c1ccccc1Aglycone:
CC(COC(=O)CCC(C)C)=C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CC(O)c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.75 |
AlogP: | 5.86 | Num_rotatable_bonds: | 13 |
MolWt: | 855.08 | Num_heavy_atoms: | 61 |
TPSA: | 179.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD07100
Formula: C28H44O4
Smiles:
CC(COC(=O)CCC(C)C)=C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12CHBA: | 4 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.82 |
AlogP: | 5.58 | Num_rotatable_bonds: | 5 |
MolWt: | 444.66 | Num_heavy_atoms: | 32 |
TPSA: | 66.76 | NumAromaticRings: | 0 |
AD07101
Formula: C8H10O
Smiles:
CC(O)c1ccccc1HBA: | 1 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
MolWt: | 122.17 | Num_heavy_atoms: | 9 |
TPSA: | 20.23 | NumAromaticRings: | 1 |