Glycoside
GD016151
Name:
NoneFormula:
C65H98O19N4Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCOCC4)C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCOCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.63 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 1239.51 | Num_heavy_atoms: | 88 |
| TPSA: | 370.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD11666
Formula: C59H87O16N3
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCOCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 19 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 1094.35 | Num_heavy_atoms: | 78 |
| TPSA: | 305.34 | NumAromaticRings: | 1 |
