Glycoside
GD114733
Name:
2-methyl-6-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19,21-dioxahexacyclo[18.2.1.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]tricosan-16-yl]oxy}oxane-3,4,5-triolFormula:
C42H68O13Smiles:
CC(C)=CC1CC(C)(OC2OC(C)C(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Aglycone:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04367
Formula: C30H48O4
Smiles:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
