Glycoside
GD121807
Name:
Urdamycin DFormula:
C53H61O18NSmiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3c3oc(=O)c(-c4c[nH]c5ccccc45)c4cc(C5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(O)C(C)O5)c(O)c(c34)C2=O)CCC1OAglycone:
CC1OC(OC2CC(c3cc4c(-c5c[nH]c6ccccc56)c(=O)oc5c4c(c3O)C(=O)C3=C5C4(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: | 19 | RingCount: | 11 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 1000.06 | Num_heavy_atoms: | 72 |
| TPSA: | 286.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD49052
Formula: C47H51O15N
Smiles:
CC1OC(OC2CC(c3cc4c(-c5c[nH]c6ccccc56)c(=O)oc5c4c(c3O)C(=O)C3=C5C4(OC5CCC(O)C(C)O5)C(=O)CC(C)(O)CC4(O)C=C3)OC(C)C2O)CCC1O| HBA: | 16 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.51 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 869.92 | Num_heavy_atoms: | 63 |
| TPSA: | 247.67 | NumAromaticRings: | 4 |
