Glycoside
GD030029
Name:
SWERTIPUNICOSIDEFormula:
C33H26O17Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.21 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 694.55 | Num_heavy_atoms: | 50 |
| TPSA: | 301.41 | NumAromaticRings: | 6 |
Unique Aglycone
AD19464
Formula: C27H16O12
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc(O)c5c(=O)c6cc(O)c(O)cc6oc45)cc(O)c3oc2c1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.41 | Num_heavy_atoms: | 39 |
| TPSA: | 211.26 | NumAromaticRings: | 6 |
