Glycoside
GD020255
Name:
NoneFormula:
C38H47O16NSmiles:
CNC1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(OC3OC(C)C(OC)C(C)(OC)C3OC)CC(C)(O)C5C(=O)OC)C(C)(O2)C1OAglycone:
CNC1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5C(=O)OC)C(C)(O2)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 773.79 | Num_heavy_atoms: | 55 |
| TPSA: | 238.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD14019
Formula: C28H29O12N
Smiles:
CNC1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5C(=O)OC)C(C)(O2)C1O| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 571.54 | Num_heavy_atoms: | 41 |
| TPSA: | 212.31 | NumAromaticRings: | 2 |
