Glycoside
GD116328
Name:
4,6,11,18,27-pentahydroxy-7,9,24,26-tetramethyl-20-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,16,25-trioxaheptacyclo[15.11.1.0²,¹âµ.0³,¹².0âµ,¹â°.0²¹,²â¹.0²³,²â¸]nonacosa-1,3(12),4,10,14,17,19,21(29),23(28)-nonaene-13,22-dioneFormula:
C36H36O16Smiles:
CC1OC(C)C(O)c2c1c(O)c1c(=O)cc3oc4c(O)cc(OC5OC(CO)C(O)C(O)C5O)c5c(=O)c6c(c(c45)c3c1c2O)C(O)C(C)OC6CAglycone:
CC1OC(C)C(O)c2c1c(O)c1c(=O)cc3oc4c(O)cc(O)c5c(=O)c6c(c(c45)c3c1c2O)C(O)C(C)OC6CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 724.67 | Num_heavy_atoms: | 52 |
| TPSA: | 266.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD46171
Formula: C30H26O11
Smiles:
CC1OC(C)C(O)c2c1c(O)c1c(=O)cc3oc4c(O)cc(O)c5c(=O)c6c(c(c45)c3c1c2O)C(O)C(C)OC6C| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 562.53 | Num_heavy_atoms: | 41 |
| TPSA: | 187.12 | NumAromaticRings: | 5 |
