Glycoside
GD123865
Name:
22-[(4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl)Oxy]-1,3,26-Trihydroxy-12-Methyl-10-Oxo-6,11,28-Trioxatricyclo[22.3.1.0âµ,â·]Octacosa-8,14,16,18,20-Pentaene-25-Carboximidic AcidFormula:
C33H48O12N2Smiles:
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=N)OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=N)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 237.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD50012
Formula: C27H37O9N
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=N)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 519.59 | Num_heavy_atoms: | 37 |
| TPSA: | 173.06 | NumAromaticRings: | 0 |
