Glycoside
GD004929
Name:
2-[(2-{[3,4-dihydroxy-5-(1-hydroxy-2-methoxyethyl)oxolan-2-yl]oxy}-1-(5-ethyl-6-methylheptan-2-yl)-5,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl)oxy]-5-(1-hydroxy-2-methoxyethyl)oxolane-3,4-diolFormula:
C43H74O14Smiles:
CCC(CC[C@H](C)[C@@H]1[C@H](O[C@@H]2O[C@H]([C@H](O)COC)[C@H](O)[C@H]2O)CC2=C3[C@H](O[C@@H]4O[C@H]([C@H](O)COC)[C@H](O)[C@H]4O)[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)CAglycone:
CCC(CCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C)C(C)C.COCCO.COCCOSugarmoiety:
COCOOC(O)C(O)O.COCOOC(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 815.05 | Num_heavy_atoms: | 57 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD04243
Formula: C29H50O4
Smiles:
CCC(CCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
