Glycoside
GD136966
Name:
2-amino-3-{[2-(9-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)-1-hydroxyethyl]sulfanyl}propanoic acidFormula:
C34H58O12N2SSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC(O)SCC(N)C(=O)O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(O)SCC(N)C(=O)O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 718.91 | Num_heavy_atoms: | 49 |
| TPSA: | 221.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD55351
Formula: C26H43O9NS
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(O)SCC(N)C(=O)O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.7 | Num_heavy_atoms: | 37 |
| TPSA: | 179.91 | NumAromaticRings: | 0 |
