Glycoside
GD136708
Name:
stigmast-5-en-3-ol; (3β,24s)-form, 3-o-[14-methylpentadecanoyl-(->6)-β-d-glucopyranoside]Formula:
C51H90O7Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(=O)CCCCCCCCCCCCC(C)C)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.COC(=O)CCCCCCCCCCCCC(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 11.74 | Num_rotatable_bonds: | 23 |
| MolWt: | 815.27 | Num_heavy_atoms: | 58 |
| 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 |
AD55264
Formula: C17H34O2
Smiles:
COC(=O)CCCCCCCCCCCCC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 13 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
