Glycoside
GD008312
Name:
NOGALAMYCINFormula:
C39H49O16NSmiles:
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@H]1OAglycone:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 787.81 | Num_heavy_atoms: | 56 |
| TPSA: | 229.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD06648
Formula: C29H31O12N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 585.56 | Num_heavy_atoms: | 42 |
| TPSA: | 203.52 | NumAromaticRings: | 2 |
