Glycoside
GD126270
Name:
Kigamicin EFormula:
C55H71O22NSmiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC(OC5CC(O)c6c(oc7c8c9c(c(O)c7c6=O)-c6c(cc7c(c6O)C(=O)N6CCOC6(C)C7)CC9OCO8)C5O)OC4C)CC3OC)CC2OC)OC(C)C1OAglycone:
CC1OC(OC2CC(O)c3c(oc4c5c6c(c(O)c4c3=O)-c3c(cc4c(c3O)C(=O)N3CCOC3(C)C4)CC6OCO5)C2O)CCC1OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 12 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 1098.16 | Num_heavy_atoms: | 78 |
| TPSA: | 280.89 | 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 |
