Glycoside
GD149023
Name:
5-(16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,10-dihydroxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-11-en-6-yl)-2-methylpent-4-en-2-yl acetateFormula:
C43H66O16Smiles:
CC(=O)OC(C)(C)CC=CC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C4O)C5(C)C)C2(C)CCC13OAglycone:
CC(=O)OC(C)(C)CC=CC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 838.99 | Num_heavy_atoms: | 59 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD46893
Formula: C32H48O7
Smiles:
CC(=O)OC(C)(C)CC=CC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
