Glycoside
...
GD122977

Name:
Clonostachin

Formula:
C78H134O25N14

Smiles:
CCC(C)C(N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)O)C(=O)OC(C(O)CO)C(O)C(O)CO

Aglycone:
CCC(C)C(C=O)N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)O

Sugarmoiety:
OCC(O)C(O)C(OO)C(O)CO

Other Identifiers

Properties
HBA: 39 RingCount: 4
HBD: 19 FractionCSP3: 0.81
AlogP: 3.65 Num_rotatable_bonds: 40
MolWt: 1668.0 Num_heavy_atoms: 117
TPSA: 615.51 NumAromaticRings: 0

Unique Aglycone
AD49601
Formula: C72H122O19N14

Smiles:
CCC(C)C(C=O)N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)O
HBA: 33 RingCount: 4
HBD: 14 FractionCSP3: 0.79
AlogP: 6.87 Num_rotatable_bonds: 34
MolWt: 1487.85 Num_heavy_atoms: 105
TPSA: 505.13 NumAromaticRings: 0

Sugarmoiety
SD00527

OCC(O)C(O)C(OO)C(O)CO