Glycoside

GD028757
Name:
Tenuifoliside CFormula:
C35H44O19Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@]3(CO)O[C@H](CO)[C@H](O)[C@H]3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.49 |
AlogP: | -1.12 | Num_rotatable_bonds: | 16 |
MolWt: | 768.72 | Num_heavy_atoms: | 54 |
TPSA: | 268.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1HBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
MolWt: | 238.24 | Num_heavy_atoms: | 17 |
TPSA: | 64.99 | NumAromaticRings: | 1 |
AD17348
Formula: C12H14O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1OCHBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
MolWt: | 238.24 | Num_heavy_atoms: | 17 |
TPSA: | 64.99 | NumAromaticRings: | 1 |