Glycoside
GD124601
Name:
Pradimicin-T1Formula:
C42H45O23NSmiles:
Cc1cc2c(c(O)c1C(O)=NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(OC4OCC(O)C(O)C4O)cc(O)c1C3=O)C(O)C2OC1OC(C)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
Cc1cc2c(c(O)c1C(O)=NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)C(O)C2OSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.48 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 931.81 | Num_heavy_atoms: | 66 |
| TPSA: | 402.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD50351
Formula: C26H19O11N
Smiles:
Cc1cc2c(c(O)c1C(O)=NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)C(O)C2O| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.15 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 521.43 | Num_heavy_atoms: | 38 |
| TPSA: | 225.41 | NumAromaticRings: | 3 |
