Glycoside
GD117978
Name:
12-hydroxy-8-{[3-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1(21),10-dien-14-oneFormula:
C42H64O16Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CC(O)C6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)C(O)C3OC)CC2OC)OC(C)C1OAglycone:
CC12OC=C3CCC4C(C(=O)OC(CO1)C32)C(O)C=C1CC(O)CCC14CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD44868
Formula: C21H28O6
Smiles:
CC12OC=C3CCC4C(C(=O)OC(CO1)C32)C(O)C=C1CC(O)CCC14C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
