Glycoside
GD145139
Name:
Uk 69753Formula:
C58H86O18N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C(O)C(O)C=CC=CC=CC=C(C)C(=O)c2c(O)ccn(C)c2=O)CC(OC2OC(C)C(OC3OC(C)C(O)C(O)C3OC)C(OC)C2O)C1(C)CAglycone:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C(O)C(O)C=CC=CC=CC=C(C)C(=O)c2c(O)ccn(C)c2=O)CC(O)C1(C)CSugarmoiety:
COC1C(OC2C(C)OC(O)C(O)C2OC)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 25 |
| MolWt: | 1099.32 | Num_heavy_atoms: | 78 |
| TPSA: | 287.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD58277
Formula: C44H62O10N2
Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C(O)C(O)C=CC=CC=CC=C(C)C(=O)c2c(O)ccn(C)c2=O)CC(O)C1(C)C| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 19 |
| MolWt: | 778.98 | Num_heavy_atoms: | 56 |
| TPSA: | 191.27 | NumAromaticRings: | 1 |
