Glycoside

GD122530
Name:
3,5-dihydroxy-2-[(5-hydroxy-6-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxan-4-oneFormula:
C36H52O14Smiles:
COC1C(O)C(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(C3=CC(=O)OC3)CCC24O)OC(C)C1OC1OC(CO)C(O)C(=O)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O.O=C1C(O)C(O)OC(CO)C1OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 8 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 0.27 | Num_rotatable_bonds: | 7 |
MolWt: | 708.8 | Num_heavy_atoms: | 50 |
TPSA: | 203.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD44600
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13OHBA: | 5 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
MolWt: | 388.5 | Num_heavy_atoms: | 28 |
TPSA: | 79.29 | NumAromaticRings: | 0 |
AD49384
Formula: C6H10O6
Smiles:
O=C1C(O)C(O)OC(CO)C1OHBA: | 6 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.83 |
AlogP: | -3.01 | Num_rotatable_bonds: | 1 |
MolWt: | 178.14 | Num_heavy_atoms: | 12 |
TPSA: | 107.22 | NumAromaticRings: | 0 |