Glycoside
GD013560
Name:
TERFLAVIN BFormula:
C34H24O22Smiles:
O=C(OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.18 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 784.54 | Num_heavy_atoms: | 56 |
| TPSA: | 385.24 | NumAromaticRings: | 6 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD10096
Formula: C21H10O13
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.3 | Num_heavy_atoms: | 34 |
| TPSA: | 239.33 | NumAromaticRings: | 5 |
