Glycoside
GD132216
Name:
16-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaene-19-carboxylic acidFormula:
C33H47O13NSmiles:
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC2OC2C=CC(=O)O1Aglycone:
CC1CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC2OC2C=CC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 665.73 | Num_heavy_atoms: | 47 |
| TPSA: | 238.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD44144
Formula: C27H36O10
Smiles:
CC1CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC2OC2C=CC(=O)O1| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 174.12 | NumAromaticRings: | 0 |
