Glycoside
GD030945
Name:
NoneFormula:
C39H49O21NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4c(CN5CCCC(O)C5=O)c(O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1C(O)CCCN1Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 867.81 | Num_heavy_atoms: | 61 |
| TPSA: | 348.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD19995
Formula: C21H19O8N
Smiles:
O=C1C(O)CCCN1Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 413.38 | Num_heavy_atoms: | 30 |
| TPSA: | 151.67 | NumAromaticRings: | 3 |
