Glycoside
GD000685
Name:
6-[1-(1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-oneFormula:
C34H50O12Smiles:
CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@]2(O)CC[C@]3(O)[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC(=O)[C@@]5(C)[C@H]4CC[C@@]32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00738
Formula: C28H40O7
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
