Glycoside
GD016762
Name:
NoneFormula:
C30H25O13NSmiles:
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)[C@]1(CCc2cc4cc(C(O)C(O)C(O)C(C)O)nc(O)c4c(O)c21)C3=OAglycone:
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C1(CCc2cc4ccnc(O)c4c(O)c21)C3=OSugarmoiety:
CC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 607.52 | Num_heavy_atoms: | 44 |
| TPSA: | 252.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD12028
Formula: C25H15O9N
Smiles:
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C1(CCc2cc4ccnc(O)c4c(O)c21)C3=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 473.39 | Num_heavy_atoms: | 35 |
| TPSA: | 171.32 | NumAromaticRings: | 3 |
