Glycoside
GD013517
Name:
NoneFormula:
C58H86O26Smiles:
COC1C(O)CC(OC2C(C)OC(Oc3cc(O)c4c(O)c5c(cc4c3)CC(C(OC)C(O)C(O)C(C)O)C(OC3CC(OC4CC(OC6CC(C)(O)C(OC(=O)C(C)C)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)C5=O)CC2OC(C)=O)OC1CAglycone:
CC(C)C(=O)O.O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1OSugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1COther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 19 |
| MolWt: | 1199.3 | Num_heavy_atoms: | 84 |
| TPSA: | 362.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00371
Formula: C14H12O5
Smiles:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety
SD01843
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1C