Glycoside
GD149269
Name:
Indigotide AFormula:
C21H26O9Smiles:
CC=CC=CC1=Cc2cc(O)c(OC3OC(CO)C(OC)C(O)C3O)c(O)c2CO1Aglycone:
CC=CC=CC1=Cc2cc(O)c(O)c(O)c2CO1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 138.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD59699
Formula: C14H14O4
Smiles:
CC=CC=CC1=Cc2cc(O)c(O)c(O)c2CO1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
