Glycoside
GD003004
Name:
UrdamycinFormula:
C43H56O17Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3ccc(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)CCC1OAglycone:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)C3=C(C4=O)C4(OC5CCC(O)C(C)O5)C(=O)CC(C)(O)CC4(O)C=C3)OC(C)C2O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 844.9 | Num_heavy_atoms: | 60 |
| TPSA: | 257.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD02783
Formula: C37H46O14
Smiles:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)C3=C(C4=O)C4(OC5CCC(O)C(C)O5)C(=O)CC(C)(O)CC4(O)C=C3)OC(C)C2O)CCC1O| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 714.76 | Num_heavy_atoms: | 51 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
