Glycoside
GD158001
Name:
12-[(3-amino-4,5-dihydroxyoxan-2-yl)oxy]-11-hydroxy-11,23-dimethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-oneFormula:
C30H40O6N2Smiles:
CC1C=CC=CC=CC=CC=CC(OC2OCC(O)C(O)C2N)C(C)(O)C=CC=CC=CC=CC(=O)NC1Aglycone:
CC1C=CC=CC=CC=CC=CC(O)C(C)(O)C=CC=CC=CC=CC(=O)NC1Sugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 524.66 | Num_heavy_atoms: | 38 |
| TPSA: | 134.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD62400
Formula: C25H31O3N
Smiles:
CC1C=CC=CC=CC=CC=CC(O)C(C)(O)C=CC=CC=CC=CC(=O)NC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 393.53 | Num_heavy_atoms: | 29 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
