Glycoside
GD114745
Name:
Indigotide BFormula:
C22H26O10Smiles:
COC1C(CO)OC(Oc2cc(O)cc3cc4c(c(O)c23)C(=O)C(C)C(C)O4)C(O)C1OAglycone:
CC1Oc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1CSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD45254
Formula: C15H14O5
Smiles:
CC1Oc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
