Glycoside
GD152736
Name:
stigmast-5-en-3-ol; (3β,24s)-form, 3-o-[8e,11e-octadecadienoyl-(->6)-β-d-glucopyranoside]Formula:
C53H90O7Smiles:
CCCCCCC=CCC=CCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCC=CCC=CCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 12.21 | Num_rotatable_bonds: | 24 |
| MolWt: | 839.3 | Num_heavy_atoms: | 60 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD60793
Formula: C19H34O2
Smiles:
CCCCCCC=CCC=CCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 294.48 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
