Glycoside

GD020788
Name:
Cumingianoside FFormula:
C38H62O10Smiles:
CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5C(C)C[C@H](O)C4OC4(C)C)[C@]32C)C(O)C(O)C1OAglycone:
CC(CC(O)C1OC1(C)C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.97 |
AlogP: | 3.72 | Num_rotatable_bonds: | 8 |
MolWt: | 678.9 | Num_heavy_atoms: | 48 |
TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD14298
Formula: C30H50O4
Smiles:
CC(CC(O)C1OC1(C)C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13CHBA: | 4 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 5.32 | Num_rotatable_bonds: | 4 |
MolWt: | 474.73 | Num_heavy_atoms: | 34 |
TPSA: | 73.22 | NumAromaticRings: | 0 |