Glycoside
GD129567
Name:
2-[2-hydroxy-2-(7-hydroxy-2,4b,8,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O8Smiles:
CC1(C(O)COC2OC(CO)C(O)C(O)C2O)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1Aglycone:
CC1(C(O)CO)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.63 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52020
Formula: C20H34O3
Smiles:
CC1(C(O)CO)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
