Glycoside
GD006013
Name:
NoneFormula:
C27H35O10NSmiles:
O=C(O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(O)[C@@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CCC3)[C@H]2O6)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc2c3c1OC1C(O)CCC4(O)C(C2)N(CC2CCC2)CCC314Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 533.57 | Num_heavy_atoms: | 38 |
| TPSA: | 169.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD05014
Formula: C21H27O4N
Smiles:
Oc1ccc2c3c1OC1C(O)CCC4(O)C(C2)N(CC2CCC2)CCC314| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 357.45 | Num_heavy_atoms: | 26 |
| TPSA: | 73.16 | NumAromaticRings: | 1 |
