Glycoside
GD121544
Name:
4-(2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)-1,3-dioxolan-2-oneFormula:
C27H42O9Smiles:
CC1(C2COC(=O)O2)C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2CC1Aglycone:
CC1(C2COC(=O)O2)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD48931
Formula: C21H32O4
Smiles:
CC1(C2COC(=O)O2)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
