Glycoside
GD148259
Name:
(6-{[4,7-dihydroxy-3-(hydroxymethyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C23H22O12Smiles:
CC(=O)OCC1OC(Oc2cc3c(c(O)c2CO)C(=O)c2ccc(O)cc2C3=O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1c2cc(O)ccc2C(=O)c2c1cc(O)c(CO)c2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD58835
Formula: C15H10O6
Smiles:
O=C1c2cc(O)ccc2C(=O)c2c1cc(O)c(CO)c2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
