Glycoside
...
GD007439

Name:
None

Formula:
C51H86O17N12

Smiles:
CCCCCCCCCCCCN1C(=O)C(C(O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2OC)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)N(CCCNC(=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)C1=O

Aglycone:
CCCCCCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 29 RingCount: 5
HBD: 15 FractionCSP3: 0.78
AlogP: -2.38 Num_rotatable_bonds: 32
MolWt: 1139.32 Num_heavy_atoms: 80
TPSA: 426.38 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
AD06059
Formula: C37H67O9N9

Smiles:
CCCCCCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O
HBA: 18 RingCount: 2
HBD: 10 FractionCSP3: 0.81
AlogP: 0.99 Num_rotatable_bonds: 26
MolWt: 782.0 Num_heavy_atoms: 55
TPSA: 268.12 NumAromaticRings: 0

Sugarmoiety
SD00992

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