Glycoside
GD150877
Name:
3a-o-methyljadomycin 3ambaFormula:
C33H31O10NSmiles:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(OC4CC(O)C(O)C(C)O4)cccc3C2=O)N1Cc1cccc(C(=O)O)c1Aglycone:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(O)cccc3C2=O)N1Cc1cccc(C(=O)O)c1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 601.61 | Num_heavy_atoms: | 44 |
| TPSA: | 163.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD60226
Formula: C27H21O7N
Smiles:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(O)cccc3C2=O)N1Cc1cccc(C(=O)O)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 471.47 | Num_heavy_atoms: | 35 |
| TPSA: | 124.37 | NumAromaticRings: | 3 |
