Glycoside
GD115930
Name:
19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-3-methoxy-4,9-dimethyl-5-oxa-2-azapentacyclo[11.8.0.0²,â¶.0â·,¹².0¹âµ,²â°]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-14,21-dioneFormula:
C28H29O9NSmiles:
COC1C(C)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(OC5CC(O)C(O)C(C)O5)cccc4C3=O)N21Aglycone:
COC1C(C)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 523.54 | Num_heavy_atoms: | 38 |
| TPSA: | 134.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD45944
Formula: C22H19O6N
Smiles:
COC1C(C)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 96.3 | NumAromaticRings: | 2 |
