Glycoside

GD025528
Name:
NoneFormula:
C44H66O14Smiles:
COC(OC)[C@H](C)[C@]1(O)[C@H](OC2OCC(O)C(OC3OCC(O)C(O)C3OC(C)c3ccccc3)C2OC(C)=O)CC2C3CC=C4C[C@H](O)CC[C@@]4(C)C3CC[C@]21CAglycone:
CC(O)c1ccccc1.COC(OC)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.8 |
AlogP: | 3.55 | Num_rotatable_bonds: | 12 |
MolWt: | 819.0 | Num_heavy_atoms: | 58 |
TPSA: | 192.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD07101
Formula: C8H10O
Smiles:
CC(O)c1ccccc1HBA: | 1 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
MolWt: | 122.17 | Num_heavy_atoms: | 9 |
TPSA: | 20.23 | NumAromaticRings: | 1 |
AD16917
Formula: C24H40O5
Smiles:
COC(OC)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CHBA: | 5 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.92 |
AlogP: | 3.27 | Num_rotatable_bonds: | 4 |
MolWt: | 408.58 | Num_heavy_atoms: | 29 |
TPSA: | 79.15 | NumAromaticRings: | 0 |