Glycoside
...
GD004497

Name:
None

Formula:
C51H88O19N14

Smiles:
COC1C(O)[C@H](OC(C(NCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C2CCN=C(N)N2)C(OC(=O)CCCCCCCCCCCN(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]1CN

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCN(O)C(=N)N)C(C)C)C1CCN=C(N)N1)C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 33 RingCount: 4
HBD: 20 FractionCSP3: 0.76
AlogP: -3.86 Num_rotatable_bonds: 36
MolWt: 1201.34 Num_heavy_atoms: 84
TPSA: 514.5 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
AD03918
Formula: C37H69O11N11

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCN(O)C(=N)N)C(C)C)C1CCN=C(N)N1)C(=O)O
HBA: 22 RingCount: 1
HBD: 15 FractionCSP3: 0.78
AlogP: -0.48 Num_rotatable_bonds: 30
MolWt: 844.02 Num_heavy_atoms: 59
TPSA: 356.24 NumAromaticRings: 0

Sugarmoiety
SD00870

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