Glycoside
GD136473
Name:
2-{[4,5-dihydroxy-6-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-10-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H68O12Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4C=CC46OCC7(CCC(C)(C)CC74)C(O)CC56C)C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD09166
Formula: C30H48O3
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
