Glycoside

GD023701
Name:
NoneFormula:
C43H62O15Smiles:
CCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](Oc3cc(O)cc(C=Cc4ccc(OC)cc4)c3)O[C@H](COC(=O)CCCCCCC)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCC(=O)OC.CCCCCCCC(=O)OC.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.63 |
AlogP: | 4.4 | Num_rotatable_bonds: | 23 |
MolWt: | 818.95 | Num_heavy_atoms: | 58 |
TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD01605
Formula: C9H18O2
Smiles:
CCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.89 |
AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
MolWt: | 158.24 | Num_heavy_atoms: | 11 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02004
Formula: C15H14O3
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1HBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.07 |
AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
MolWt: | 242.27 | Num_heavy_atoms: | 18 |
TPSA: | 49.69 | NumAromaticRings: | 2 |