Glycoside
GD130876
Name:
2-ethenyl-2,4b,8,8-tetramethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrophenanthrene-1,4,10,10a-tetrolFormula:
C26H44O10Smiles:
C=CC1(C)CC(O)C2C3(C)C(OC4OC(CO)C(O)C(O)C4O)CCC(C)(C)C3CC(O)C2(O)C1OAglycone:
C=CC1(C)CC(O)C2C3(C)C(O)CCC(C)(C)C3CC(O)C2(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53033
Formula: C20H34O5
Smiles:
C=CC1(C)CC(O)C2C3(C)C(O)CCC(C)(C)C3CC(O)C2(O)C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
