Glycoside
GD148271
Name:
2-[(4,5-dihydroxy-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C38H58O13Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 722.87 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD08864
Formula: C27H40O5
Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
