Glycoside
GD029237
Name:
CALABRICOSIDE AFormula:
C32H38O20Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 742.64 | Num_heavy_atoms: | 52 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
