Glycoside
...
GD019817

Name:
None

Formula:
C50H87O17N11

Smiles:
CCCCCCCCCCCCN(CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCN=C(N)N1)[C@H](O)C(C)C)[C@H](C(=O)O)C(O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1OC)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:
CCCCCCCCCCCCN(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(O)C(C)C)C(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 4
HBD: 16 FractionCSP3: 0.8
AlogP: -2.26 Num_rotatable_bonds: 34
MolWt: 1114.31 Num_heavy_atoms: 78
TPSA: 426.3 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD13782
Formula: C36H68O9N8

Smiles:
CCCCCCCCCCCCN(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(O)C(C)C)C(CO)C(=O)O
HBA: 17 RingCount: 1
HBD: 11 FractionCSP3: 0.83
AlogP: 1.12 Num_rotatable_bonds: 28
MolWt: 756.99 Num_heavy_atoms: 53
TPSA: 268.04 NumAromaticRings: 0

Sugarmoiety
SD00992

COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O