Glycoside
GD129044
Name:
11-({6-carboxy-3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-2,5,6,10,10,14-hexamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.0²,¹â¹.0âµ,¹â¸.0â¶,¹âµ.0â¹,¹â´]tetracos-17-ene-21-carboxylic acidFormula:
C42H58O18Smiles:
CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC4(C(=O)O)CC(OC4=O)C3(C)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC4(C(=O)O)CC(OC4=O)C3(C)CCC21CSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 850.91 | Num_heavy_atoms: | 60 |
| TPSA: | 293.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD52268
Formula: C30H42O6
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC4(C(=O)O)CC(OC4=O)C3(C)CCC21C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
