Glycoside

GD029575
Name:
NoneFormula:
C44H56O14Smiles:
CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(C3=O)C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(CC=C(C)C(=O)O)C3=OAglycone:
CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(C3=O)C(O)C3CC1C(C)(C)OC2(CC=C(C)C(=O)O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.61 |
AlogP: | 4.11 | Num_rotatable_bonds: | 11 |
MolWt: | 808.92 | Num_heavy_atoms: | 58 |
TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD19228
Formula: C38H46O9
Smiles:
CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(C3=O)C(O)C3CC1C(C)(C)OC2(CC=C(C)C(=O)O)C3=OHBA: | 9 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.55 |
AlogP: | 6.29 | Num_rotatable_bonds: | 8 |
MolWt: | 646.78 | Num_heavy_atoms: | 47 |
TPSA: | 139.59 | NumAromaticRings: | 1 |