Glycoside

GD115374
Name:
Dechloro-Balhimycin VFormula:
C73H86O26N10Smiles:
CNC(CC(C)C)C(O)=NC1C(O)=NC(CC(=N)O)C(O)=NC2C(O)=NC3C(O)=NC(C(O)=NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(=O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(=O)C(C)O2)Oc2ccc(cc2)C1OAglycone:
CC1OC(O)CC(C)(N)C1=O.CNC(CC(C)C)C(O)=NC1C(O)=NC(CC(=N)O)C(O)=NC2C(O)=NC3C(O)=NC(C(O)=NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(=O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 36 | RingCount: | 13 |
HBD: | 21 | FractionCSP3: | 0.45 |
AlogP: | 5.55 | Num_rotatable_bonds: | 15 |
MolWt: | 1519.54 | Num_heavy_atoms: | 109 |
TPSA: | 590.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD45629
Formula: C7H13O3N
Smiles:
CC1OC(O)CC(C)(N)C1=OHBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.86 |
AlogP: | -0.6 | Num_rotatable_bonds: | 0 |
MolWt: | 159.18 | Num_heavy_atoms: | 11 |
TPSA: | 72.55 | NumAromaticRings: | 0 |
AD45630
Formula: C60H65O19N9
Smiles:
CNC(CC(C)C)C(O)=NC1C(O)=NC(CC(=N)O)C(O)=NC2C(O)=NC3C(O)=NC(C(O)=NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(=O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1OHBA: | 28 | RingCount: | 11 |
HBD: | 17 | FractionCSP3: | 0.35 |
AlogP: | 7.63 | Num_rotatable_bonds: | 10 |
MolWt: | 1216.22 | Num_heavy_atoms: | 88 |
TPSA: | 470.11 | NumAromaticRings: | 5 |