Glycoside
...
GD017894

Name:
CLONOSTACHIN

Formula:
C78H134O25N14

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)C(C)(C)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)C(C)(C)NC(C)=O)C(=O)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO

Aglycone:
CCC(C)C(C=O)NC(=O)C(C)(CC)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(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: -4.75 Num_rotatable_bonds: 40
MolWt: 1668.0 Num_heavy_atoms: 117
TPSA: 580.61 NumAromaticRings: 0

Unique Aglycone
AD12718
Formula: C72H122O19N14

Smiles:
CCC(C)C(C=O)NC(=O)C(C)(CC)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(C)=O
HBA: 33 RingCount: 4
HBD: 14 FractionCSP3: 0.79
AlogP: -1.53 Num_rotatable_bonds: 34
MolWt: 1487.85 Num_heavy_atoms: 105
TPSA: 470.23 NumAromaticRings: 0

Sugarmoiety
SD00527

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