Glycoside
GD130904
Name:
Sinocrassoside D3Formula:
C29H32O18Smiles:
CC(=O)OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3c(O)c(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)OC(CO)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 668.56 | Num_heavy_atoms: | 47 |
| TPSA: | 295.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD12075
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
