Glycoside
GD127004
Name:
19-hydroxy-4,5,9,9,13,19,20-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-21-oxahexacyclo[18.2.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosa-15,17-dien-22-oneFormula:
C35H52O8Smiles:
CC1(C)C(OC2OCC(O)C(O)C2O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 600.79 | Num_heavy_atoms: | 43 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47224
Formula: C30H44O4
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
