Glycoside
GD132156
Name:
Cs103Formula:
C58H86O16N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C2C)C(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C2C)C(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.6 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 1067.32 | Num_heavy_atoms: | 76 |
| TPSA: | 322.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD53503
Formula: C52H75O13N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C2C)C(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 922.17 | Num_heavy_atoms: | 66 |
| TPSA: | 257.53 | NumAromaticRings: | 1 |
