Glycoside
...
GD005306

Name:
None

Formula:
C46H68O17N12

Smiles:
CO[C@@H]1[C@H](OC(C2C(=O)N(Cc3ccccc3)C(=O)N2CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@H](O)C(C)C)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CN)[C@H]1O

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN1C(=O)N(Cc2ccccc2)C(=O)C1CO)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 15 FractionCSP3: 0.63
AlogP: -5.1 Num_rotatable_bonds: 23
MolWt: 1061.12 Num_heavy_atoms: 75
TPSA: 426.38 NumAromaticRings: 2

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
AD04530
Formula: C32H49O9N9

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN1C(=O)N(Cc2ccccc2)C(=O)C1CO)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O
HBA: 18 RingCount: 3
HBD: 10 FractionCSP3: 0.59
AlogP: -1.73 Num_rotatable_bonds: 17
MolWt: 703.8 Num_heavy_atoms: 50
TPSA: 268.12 NumAromaticRings: 1

Sugarmoiety
SD00992

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