Glycoside
GD119101
Name:
Urdamycin CFormula:
C51H60O19Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=Cc2c(O)c4c5c(c(-c6ccc(O)cc6)c(=O)oc5c23)C=C(C2CC(OC3CCC(OC5CC(O)C(O)C(C)O5)C(C)O3)C(O)C(C)O2)C4=O)CCC1OAglycone:
CC1OC(OC2CC(C3=Cc4c(-c5ccc(O)cc5)c(=O)oc5c6c(c(O)c(c45)C3=O)C=CC3(O)CC(C)(O)CC(=O)C63OC3CCC(O)C(C)O3)OC(C)C2O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 977.02 | Num_heavy_atoms: | 70 |
| TPSA: | 290.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD47675
Formula: C45H50O16
Smiles:
CC1OC(OC2CC(C3=Cc4c(-c5ccc(O)cc5)c(=O)oc5c6c(c(O)c(c45)C3=O)C=CC3(O)CC(C)(O)CC(=O)C63OC3CCC(O)C(C)O3)OC(C)C2O)CCC1O| HBA: | 16 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 846.88 | Num_heavy_atoms: | 61 |
| TPSA: | 252.11 | NumAromaticRings: | 3 |
