Glycoside
GD132322
Name:
(6-{[15-(5,6-dihydroxy-7-methylidenenonan-3-yl)-2,6,6,10-tetraethyl-7-methylpentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C45H76O9Smiles:
C=C(CC)C(O)C(O)CC(CC)C1CCC23CC12CCC1C2(CC)CCC(C)C(CC)(CC)C2CC(OC2OC(COC(C)=O)C(O)C(O)C2O)C13CCAglycone:
C=C(CC)C(O)C(O)CC(CC)C1CCC23CC12CCC1C2(CC)CCC(C)C(CC)(CC)C2CC(O)C13CC.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 15 |
| MolWt: | 761.09 | Num_heavy_atoms: | 54 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53569
Formula: C37H64O3
Smiles:
C=C(CC)C(O)C(O)CC(CC)C1CCC23CC12CCC1C2(CC)CCC(C)C(CC)(CC)C2CC(O)C13CC| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 8.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.92 | Num_heavy_atoms: | 40 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
