Glycoside
GD118816
Name:
19-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-8,9,11,12',13',15,15',17,19',21',26-undecahydroxy-3,7'-dimethyl-5,9',13,17'-tetraoxo-4,8'-dioxa[1,1'-bi(cyclohexacosane)]-2',4',6,10',20,22,23',24,25'-nonaene-16,20'-dicarboxylic acidFormula:
C60H87O25NSmiles:
CC1CC=CC=CC(C2CC(C)OC(=O)C=CC(O)C(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC2O)C=CC=CCC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)C(O)C=CC(=O)O1Aglycone:
CC1CC=CC=CC(C2CC(C)OC(=O)C=CC(O)C(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(O)C=CC=CC=CC2O)C=CC=CCC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)C(O)C=CC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.6 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 1222.34 | Num_heavy_atoms: | 86 |
| TPSA: | 468.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47541
Formula: C54H76O22
Smiles:
CC1CC=CC=CC(C2CC(C)OC(=O)C=CC(O)C(O)CC(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(O)C=CC=CC=CC2O)C=CC=CCC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)C(O)C=CC(=O)O1| HBA: | 22 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 1077.18 | Num_heavy_atoms: | 76 |
| TPSA: | 404.1 | NumAromaticRings: | 0 |
