Glycoside
GD142398
Name:
ergosta-5,24-dien-3-ol; 3β-form, 3-o-(6-o-hexadecanoyl-β-d-glucopyranoside)Formula:
C50H86O7Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(C)=C(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CC(C)=C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 11.56 | Num_rotatable_bonds: | 22 |
| MolWt: | 799.23 | Num_heavy_atoms: | 57 |
| TPSA: | 105.45 | 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 |
AD57305
Formula: C28H46O
Smiles:
CC(C)=C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.68 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
