Glycoside
GD156299
Name:
3,4,5-trihydroxy-6-({12-hydroxy-24,25-dimethoxy-27-[(methylamino)methyl]-22,30-dioxaheptacyclo[17.10.1.1³,â·.0â¹,¹â´.0¹âµ,²â°.0²¹,²â¹.0²³,²â¸]hentriaconta-3(31),4,6,9,11,13,15(20),16,18,23(28),24,26-dodecaen-17-yl}oxy)-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C41H44O12N2Smiles:
CNCc1cc(OC)c(OC)c2c1C1C3Cc4cccc(c4)Cc4ccc(O)cc4-c4cc(OC5OC(CNC)(C(=O)O)C(O)C(O)C5O)cc(c4C1O2)O3Aglycone:
CNCc1cc(OC)c(OC)c2c1C1C3Cc4cccc(c4)Cc4ccc(O)cc4-c4cc(O)cc(c4C1O2)O3Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.81 | Num_heavy_atoms: | 55 |
| TPSA: | 197.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD61905
Formula: C33H31O6N
Smiles:
CNCc1cc(OC)c(OC)c2c1C1C3Cc4cccc(c4)Cc4ccc(O)cc4-c4cc(O)cc(c4C1O2)O3| HBA: | 7 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 537.61 | Num_heavy_atoms: | 40 |
| TPSA: | 89.41 | NumAromaticRings: | 4 |
