Glycoside
GD130589
Name:
2-{[7-(1,2-dihydroxyethyl)-3-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)CC(O)CC3(C)C2CC1Aglycone:
CC1(C(O)CO)C=C2CCC3C(C)(CO)CC(O)CC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52921
Formula: C20H34O4
Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(CO)CC(O)CC3(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
