Glycoside

GD009276
Name:
NoneFormula:
C41H64O15SSmiles:
CC(C)CCC[C@@]1(C)OC(=O)[C@@]23CC=C4[C@H](CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC(=O)[C@H]13Aglycone:
CC(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.9 |
AlogP: | 3.4 | Num_rotatable_bonds: | 10 |
MolWt: | 829.02 | Num_heavy_atoms: | 57 |
TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
MolWt: | 98.08 | Num_heavy_atoms: | 5 |
TPSA: | 74.6 | NumAromaticRings: | 0 |
AD05963
Formula: C30H46O4
Smiles:
CC(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13HBA: | 4 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.87 |
AlogP: | 6.25 | Num_rotatable_bonds: | 4 |
MolWt: | 470.69 | Num_heavy_atoms: | 34 |
TPSA: | 63.6 | NumAromaticRings: | 0 |