Glycoside

GD029261
Name:
NoneFormula:
C37H58O10Smiles:
CCOCO[C@@H]1C[C@H](O[C@H](C)[C@]2(O)CC[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)C=C(OC)C6=O)CC[C@@]5(C)[C@H]4CC[C@]32C)O[C@H](C)[C@H]1OAglycone:
CCOCO.COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.86 |
AlogP: | 5.19 | Num_rotatable_bonds: | 10 |
MolWt: | 662.86 | Num_heavy_atoms: | 47 |
TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD14997
Formula: C3H8O2
Smiles:
CCOCOHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | -0.03 | Num_rotatable_bonds: | 2 |
MolWt: | 76.09 | Num_heavy_atoms: | 5 |
TPSA: | 29.46 | NumAromaticRings: | 0 |
AD19054
Formula: C28H42O6
Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=OHBA: | 6 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.82 |
AlogP: | 4.29 | Num_rotatable_bonds: | 4 |
MolWt: | 474.64 | Num_heavy_atoms: | 34 |
TPSA: | 85.22 | NumAromaticRings: | 0 |