Glycoside
GD151308
Name:
2-({4,4,6a,6b,8a,11,11-heptamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,11H,12H,12aH,14H,15H-cyclopropa[r]picen-3-yl}oxy)-5-(1,2-dihydroxyethyl)oxolane-3,4-diolFormula:
C36H58O6Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CCC45CC46CCC(OC4OC(C(O)CO)C(O)C4O)C(C)(C)C6CCC35C)C2C1Aglycone:
CC1(C)CCC2(C)CCC3(C)C(=CCC45CC46CCC(O)C(C)(C)C6CCC35C)C2C1Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.85 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD60357
Formula: C30H48O
Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CCC45CC46CCC(O)C(C)(C)C6CCC35C)C2C1| HBA: | 1 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 424.71 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
