Glycoside
GD132908
Name:
15-ethenyl-5-hydroxy-11-methyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-1,11-diazapentacyclo[10.8.1.0²,â·.0â¸,²¹.0¹â´,¹â¹]henicosa-2,4,6,8(21),18-pentaen-20-oneFormula:
C27H32O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)n3c4c(c5cc(O)ccc53)CCN(C)C4CC21Aglycone:
C=CC1C(O)OC=C2C(=O)n3c4c(c5cc(O)ccc53)CCN(C)C4CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.56 | Num_heavy_atoms: | 38 |
| TPSA: | 154.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD53808
Formula: C21H22O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)n3c4c(c5cc(O)ccc53)CCN(C)C4CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.42 | Num_heavy_atoms: | 27 |
| TPSA: | 74.93 | NumAromaticRings: | 2 |
