Glycoside
GD038083
Name:
nogalamycin roFormula:
C35H41O14NSmiles:
COC(=O)[C@H]1c2cc3c(c(O)c2[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1C[C@@H](N(C)C)[C@@H](O)[C@@]2(C)O1Aglycone:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1CC(N(C)C)C(O)C2(C)O1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 699.71 | Num_heavy_atoms: | 50 |
| TPSA: | 221.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD23851
Formula: C29H31O11N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1CC(N(C)C)C(O)C2(C)O1| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 569.56 | Num_heavy_atoms: | 41 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
