Glycoside
GD123093
Name:
10-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosa-15,17-dien-22-oneFormula:
C40H60O12Smiles:
CC1(C)C(OC2OCC(O)C(O)C2OC2OC(CO)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:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 732.91 | Num_heavy_atoms: | 52 |
| TPSA: | 184.6 | 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 |
