Glycoside
GD142783
Name:
14-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-18-hydroxy-7,11-dimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-8-oneFormula:
C40H58O17Smiles:
CC1OC(OC2COC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C46OC47CCC(C4=CC(=O)OC4)C7(C)C(=O)CC56)OC3C)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CC(O)C13OC14CCC(C1=CC(=O)OC1)C4(C)C(=O)CC23Sugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 810.89 | Num_heavy_atoms: | 57 |
| TPSA: | 252.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD57455
Formula: C23H30O6
Smiles:
CC12CCC(O)CC1CC(O)C13OC14CCC(C1=CC(=O)OC1)C4(C)C(=O)CC23| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
