Glycoside
GD125845
Name:
6-({7-carboxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C42H62O16Smiles:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=OAglycone:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 822.94 | Num_heavy_atoms: | 58 |
| TPSA: | 259.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD08702
Formula: C30H44O5
Smiles:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
