Glycoside
...
GD035701

Name:
None

Formula:
C52H90O19N14

Smiles:
CO[C@@H]1[C@H](O[C@H]([C@H](NCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@H](OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C(=O)O)[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)NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C1CCNC(=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: 33 RingCount: 4
HBD: 20 FractionCSP3: 0.77
AlogP: -3.26 Num_rotatable_bonds: 37
MolWt: 1215.37 Num_heavy_atoms: 85
TPSA: 512.0 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
AD22578
Formula: C38H71O11N11

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)C1CCNC(=N)N1)C(=O)O
HBA: 22 RingCount: 1
HBD: 15 FractionCSP3: 0.79
AlogP: 0.12 Num_rotatable_bonds: 31
MolWt: 858.05 Num_heavy_atoms: 60
TPSA: 353.74 NumAromaticRings: 0

Sugarmoiety
SD00992

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