Glycoside
GD115198
Name:
Urdamycin CFormula:
C51H60O19Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3c3oc(=O)c(-c4ccc(O)cc4)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(-c5ccc(O)cc5)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: | 10 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 977.02 | Num_heavy_atoms: | 70 |
| TPSA: | 290.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD45521
Formula: C45H50O16
Smiles:
CC1OC(OC2CC(c3cc4c(-c5ccc(O)cc5)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: | 9 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 846.88 | Num_heavy_atoms: | 61 |
| TPSA: | 252.11 | NumAromaticRings: | 3 |
