Glycoside
GD136695
Name:
Urdamycin N8Formula:
C39H48O14Smiles:
COC1C2=C(C(=O)c3ccc(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)c2c(O)cc(C)cc2C1OCAglycone:
COC1C2=C(C(=O)c3ccc(C4CC(OC5CCC(O)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)c2c(O)cc(C)cc2C1OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 740.8 | Num_heavy_atoms: | 53 |
| TPSA: | 199.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD55260
Formula: C33H38O11
Smiles:
COC1C2=C(C(=O)c3ccc(C4CC(OC5CCC(O)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)c2c(O)cc(C)cc2C1OC| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 610.66 | Num_heavy_atoms: | 44 |
| TPSA: | 161.21 | NumAromaticRings: | 2 |
