Glycoside
GD138034
Name:
14-hydroxy-15-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-azatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-oneFormula:
C22H21O9NSmiles:
COc1c(O)cc2c3c(cc4ccc(OC5OC(CO)C(O)C(O)C5O)cc4c13)N=C2OAglycone:
COc1c(O)cc2c3c(cc4ccc(O)cc4c13)N=C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 443.41 | Num_heavy_atoms: | 32 |
| TPSA: | 161.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD55740
Formula: C16H11O4N
Smiles:
COc1c(O)cc2c3c(cc4ccc(O)cc4c13)N=C2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 281.27 | Num_heavy_atoms: | 21 |
| TPSA: | 82.28 | NumAromaticRings: | 3 |
