Glycoside
GD007542
Name:
13-hydroxy-6-methyl-12-phenyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16-oxa-7-azatetracyclo[10.3.1.0²,¹¹.0³,â¸]hexadeca-2(11),3(8),5,9-tetraen-4-oneFormula:
C27H29O9NSmiles:
Cc1[nH]c2ccc3c(c2c(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@H](O)[C@@]3(c2ccccc2)O1Aglycone:
Cc1[nH]c2ccc3c(c2c(=O)c1O)C1CCC(O)C3(c2ccccc2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 511.53 | Num_heavy_atoms: | 37 |
| TPSA: | 161.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD06128
Formula: C21H19O4N
Smiles:
Cc1[nH]c2ccc3c(c2c(=O)c1O)C1CCC(O)C3(c2ccccc2)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 349.39 | Num_heavy_atoms: | 26 |
| TPSA: | 82.55 | NumAromaticRings: | 3 |
