Glycoside
GD012765
Name:
BALANOPHOTANNIN EFormula:
C33H26O21Smiles:
O=C(O[C@@H]1O[C@H](COC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.24 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 758.55 | Num_heavy_atoms: | 54 |
| TPSA: | 357.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD09591
Formula: C14H10O8
Smiles:
COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.23 | Num_heavy_atoms: | 22 |
| TPSA: | 134.27 | NumAromaticRings: | 2 |
