Glycoside
GD146739
Name:
NoneFormula:
C43H50O22Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4CC(CO)C(O)C(O)C4O)OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.OCC1CC(Oc2cc(O)cc3c2C=C(O)C(c2cc(O)c(O)c(O)c2)O3)C(O)C(O)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.47 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 918.85 | Num_heavy_atoms: | 65 |
| TPSA: | 364.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD58818
Formula: C22H24O11
Smiles:
OCC1CC(Oc2cc(O)cc3c2C=C(O)C(c2cc(O)c(O)c(O)c2)O3)C(O)C(O)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
