Glycoside
GD139572
Name:
Kigamicin DFormula:
C48H59O19NSmiles:
COC1CC(OC2C(C)OC(OC3CCC(OC4CC(O)c5c(oc6c7c8c(c(O)c6c5=O)-c5c(cc6c(c5O)C(=O)N5CCOC5(C)C6)CC8OCO7)C4O)OC3C)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(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 11 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 953.99 | Num_heavy_atoms: | 68 |
| TPSA: | 253.2 | 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 |
