Glycoside
GD131901
Name:
ergosta-5,24-dien-3-ol; 3β-form, 24,25-epoxide, 3-o-(6-o-hexadecanoyl-β-d-glucopyranoside)Formula:
C50H86O8Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC5(C)OC5(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CC(CCC1(C)OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 10.77 | Num_rotatable_bonds: | 22 |
| MolWt: | 815.23 | Num_heavy_atoms: | 58 |
| TPSA: | 117.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53415
Formula: C28H46O2
Smiles:
CC(CCC1(C)OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.67 | Num_heavy_atoms: | 30 |
| TPSA: | 32.76 | NumAromaticRings: | 0 |
