Glycoside

GD011514
Name:
NoneFormula:
C42H64O13Smiles:
C=C(C)C[C@H](C[C@@]1(C)OC(=O)[C@@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC[C@H]13)OC(C)=OAglycone:
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=OSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.86 |
AlogP: | 3.46 | Num_rotatable_bonds: | 9 |
MolWt: | 776.96 | Num_heavy_atoms: | 55 |
TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD04151
Formula: C32H48O5
Smiles:
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=OHBA: | 5 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.81 |
AlogP: | 6.54 | Num_rotatable_bonds: | 5 |
MolWt: | 512.73 | Num_heavy_atoms: | 37 |
TPSA: | 72.83 | NumAromaticRings: | 0 |