Glycoside
GD001024
Name:
Ll-D49194Alpha1Formula:
C48H64O22Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC5CC(C)(O)C(OC6CC(C)(O)C(O)C(C)O6)C(C)O5)OC1C(OC)(O4)C31CO1)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(O)OC)OC1C(OC)(O4)C31CO1)C(=O)C(O)CC2OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1(C)O.CC1OC(OC2C(C)OOCC2(C)O)CC(C)(O)C1O.COOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 993.02 | Num_heavy_atoms: | 70 |
| TPSA: | 288.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD01065
Formula: C25H26O12
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(O)OC)OC1C(OC)(O4)C31CO1)C(=O)C(O)CC2O| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 165.9 | NumAromaticRings: | 2 |
