Glycoside
GD028451
Name:
NoneFormula:
C49H60O16N2Smiles:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4Aglycone:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.51 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 933.02 | Num_heavy_atoms: | 67 |
| TPSA: | 231.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD05812
Formula: C37H40O6N2
Smiles:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4| HBA: | 8 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 608.73 | Num_heavy_atoms: | 45 |
| TPSA: | 72.86 | NumAromaticRings: | 4 |
