Glycoside
GD126258
Name:
7,22-dihydroxy-8-{[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(OC4CC5=CCC6C(=O)OC7COC8(C)OC=C(CCC6C5(C)CC4O)C78O)CC3OC)CC2OC)OC(C)C1OAglycone:
CC12CC(O)C(O)CC1=CCC1C(=O)OC3COC4(C)OC=C(CCC12)C34OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51077
Formula: C21H28O7
Smiles:
CC12CC(O)C(O)CC1=CCC1C(=O)OC3COC4(C)OC=C(CCC12)C34O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
