Glycoside
GD030187
Name:
2-({9a,11a-dimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C31H50O11Smiles:
C[C@@]12CCC[C@@H]1C1=C(CC2)[C@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC2CC1Aglycone:
CC12CCCC1C1=C(CC2)C2(C)CCC(O)CC2CC1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.73 | Num_heavy_atoms: | 42 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD02863
Formula: C19H30O
Smiles:
CC12CCCC1C1=C(CC2)C2(C)CCC(O)CC2CC1| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.45 | Num_heavy_atoms: | 20 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
