Glycoside
GD110303
Name:
Kigamicin CFormula:
C41H47O16NSmiles:
CO[C@@H]1C[C@H](O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)c4c(oc5c6c7c(c(O)c5c4=O)-c4c(cc5c(c4O)C(=O)N4CCO[C@]4(C)C5)C[C@H]7OCO6)[C@H]3O)O[C@@H]2C)O[C@H](C)[C@H]1OAglycone:
CC1OC(OC2CC(O)c3c(oc4c5c6c(c(O)c4c3=O)-c3c(cc4c(c3O)C(=O)N3CCOC3(C)C4)CC6OCO5)C2O)CCC1OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 809.82 | Num_heavy_atoms: | 58 |
| TPSA: | 225.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD44629
Formula: C34H35O13N
Smiles:
CC1OC(OC2CC(O)c3c(oc4c5c6c(c(O)c4c3=O)-c3c(cc4c(c3O)C(=O)N3CCOC3(C)C4)CC6OCO5)C2O)CCC1O| HBA: | 14 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 665.65 | Num_heavy_atoms: | 48 |
| TPSA: | 197.82 | NumAromaticRings: | 3 |
