Glycoside
GD018039
Name:
NoneFormula:
C30H27O15NSmiles:
CC(=O)Oc1ccc(C=CC(=O)O[C@H](C(N)=O)[C@H](OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=OAglycone:
CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=O.CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=OSugarmoiety:
NC(=O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 641.54 | Num_heavy_atoms: | 46 |
| TPSA: | 238.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD03988
Formula: C13H12O5
Smiles:
CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 69.67 | NumAromaticRings: | 1 |
