Glycoside
GD034676
Name:
NoneFormula:
C39H41O19NSmiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1[C@H](OC[C@@H]2O[C@H](Oc3cc4c(cc3O)C[C@H](C(=O)O)N4C(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.36 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 827.75 | Num_heavy_atoms: | 59 |
| TPSA: | 323.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD03435
Formula: C18H15O6N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 2 |
