Glycoside
GD122604
Name:
14'-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4,16'-trihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-3'-oneFormula:
C38H58O15Smiles:
CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1OAglycone:
CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 754.87 | Num_heavy_atoms: | 53 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD49423
Formula: C27H40O7
Smiles:
CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 476.61 | Num_heavy_atoms: | 34 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
