Glycoside
GD124929
Name:
NoneFormula:
C31H27O10NSmiles:
CC(=O)Oc1ccc2c3c1CC#CC1=C(C=NC1)Cc1c(OC4OC(C)C(O)C(O)C4O)c(C)c(O)c(c1C3=O)C2=OAglycone:
CC(=O)Oc1ccc2c3c1CC#CC1=C(C=NC1)Cc1c(O)c(C)c(O)c(c1C3=O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 573.55 | Num_heavy_atoms: | 42 |
| TPSA: | 172.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD50506
Formula: C25H17O6N
Smiles:
CC(=O)Oc1ccc2c3c1CC#CC1=C(C=NC1)Cc1c(O)c(C)c(O)c(c1C3=O)C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 427.41 | Num_heavy_atoms: | 32 |
| TPSA: | 113.26 | NumAromaticRings: | 2 |
