Glycoside
GD118073
Name:
2-[(5-hydroxy-6-methyl-2-{1',7',9',13'-tetramethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-oloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C45H70O16Smiles:
C=C1CCC2(OC1)OC1CC3C(C)(CCC4C3(C)CC=C3CC(O)CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C34C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C(C)(CCC4C3(C)CC=C3CC(O)CC(O)C34C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 867.04 | Num_heavy_atoms: | 61 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47164
Formula: C28H42O4
Smiles:
C=C1CCC2(OC1)OC1CC3C(C)(CCC4C3(C)CC=C3CC(O)CC(O)C34C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
