Glycoside
GD116709
Name:
1-[3a,3b,10,11-tetrahydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-oneFormula:
C35H56O12Smiles:
COC1CC(OC2C(C)OC(OC3C=C4CCC5(O)C(C(O)C(O)C6(C)C(C(C)=O)CCC56O)C4(C)CC3)CC2OC)OC(C)C1OAglycone:
CC(=O)C1CCC2(O)C3(O)CCC4=CC(O)CCC4(C)C3C(O)C(O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 668.82 | Num_heavy_atoms: | 47 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46397
Formula: C21H32O6
Smiles:
CC(=O)C1CCC2(O)C3(O)CCC4=CC(O)CCC4(C)C3C(O)C(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 380.48 | Num_heavy_atoms: | 27 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
