Glycoside
GD138910
Name:
2-{22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-10,12,14,18,20-pentahydroxy-38-[5-hydroxy-4-methyl-7-oxo-7-(pyridin-4-yl)heptan-2-yl]-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-yl}acetic acidFormula:
C59H84O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.58 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 1109.32 | Num_heavy_atoms: | 79 |
| TPSA: | 351.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD56041
Formula: C53H73O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(CC(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccncc1| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 964.16 | Num_heavy_atoms: | 69 |
| TPSA: | 286.38 | NumAromaticRings: | 1 |
