Glycoside
GD118483
Name:
3,4,5-trihydroxy-6-({12-hydroxy-4-methoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.0¹,¹â°.0²,â·]heptadeca-2,4,6,11-tetraen-3-yl}oxy)oxane-2-carboxylic acidFormula:
C24H29O10NSmiles:
COc1ccc2c(c1OC1OC(C(=O)O)C(O)C(O)C1O)C13CCN(C)C(C2)C1C=C(O)C(=O)C3Aglycone:
COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=C(O)C(=O)C3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 491.49 | Num_heavy_atoms: | 35 |
| TPSA: | 166.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD47380
Formula: C18H21O4N
Smiles:
COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=C(O)C(=O)C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 315.37 | Num_heavy_atoms: | 23 |
| TPSA: | 70.0 | NumAromaticRings: | 1 |
