Glycoside

GD032369
Name:
NoneFormula:
C29H34O11Smiles:
Cc1cc2c(c(C)c1CCO)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](CO)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H]1OAglycone:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.45 |
AlogP: | 1.2 | Num_rotatable_bonds: | 8 |
MolWt: | 558.58 | Num_heavy_atoms: | 40 |
TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
MolWt: | 180.16 | Num_heavy_atoms: | 13 |
TPSA: | 77.76 | NumAromaticRings: | 1 |
AD02503
Formula: C14H18O3
Smiles:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2OHBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.5 |
AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
MolWt: | 234.29 | Num_heavy_atoms: | 17 |
TPSA: | 57.53 | NumAromaticRings: | 1 |