Glycoside
GD035534
Name:
20-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acidFormula:
C47H75O17NSmiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OAglycone:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.68 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 926.11 | Num_heavy_atoms: | 65 |
| TPSA: | 327.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD22475
Formula: C41H64O14
Smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 262.74 | NumAromaticRings: | 0 |
