Glycoside
GD143790
Name:
9,27-dihydroxy-17-{[5-hydroxy-4-({4-hydroxy-5-[(5-methoxy-4,6-dimethyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-3,4,8,12,18,20,22-heptamethyl-26-oxapentacyclo[22.2.1.0¹,â¶.0¹³,²².0¹â¶,²¹]heptacosa-4,7,11,14,24(27)-pentaene-23,25-dioneFormula:
C53H78O14Smiles:
COC1C(C)CC(OC2C(O)CC(OC3CC(OC4C(C)CC(C)C5C4C=CC4C(C)=CCC(O)C(C)=CC6C=C(C)C(C)CC67OC(=O)C(=C7O)C(=O)C45C)OC(C)C3O)OC2C)OC1CAglycone:
CC1=CC2C=C(C)C(O)CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(CC1C)OC3=O.COC1C(C)CC(O)OC1CSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 6.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 939.19 | Num_heavy_atoms: | 67 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55470
Formula: C8H16O3
Smiles:
COC1C(C)CC(O)OC1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD57808
Formula: C33H44O6
Smiles:
CC1=CC2C=C(C)C(O)CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(CC1C)OC3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 536.71 | Num_heavy_atoms: | 39 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
