Glycoside
...
GD014620

Name:
None

Formula:
C48H85O15N11

Smiles:
CCCCCCCCCCCCCCC[C@H](NC[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(NCC(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 4
HBD: 17 FractionCSP3: 0.81
AlogP: -1.4 Num_rotatable_bonds: 35
MolWt: 1056.27 Num_heavy_atoms: 74
TPSA: 406.29 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
AD10726
Formula: C35H68O7N8

Smiles:
CCCCCCCCCCCCCCCC(NCC(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O
HBA: 15 RingCount: 1
HBD: 11 FractionCSP3: 0.86
AlogP: 2.63 Num_rotatable_bonds: 30
MolWt: 712.98 Num_heavy_atoms: 50
TPSA: 237.03 NumAromaticRings: 0

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O