Glycoside
...
GD035674

Name:
None

Formula:
C54H93O18N11

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)CCCCCCCCCCCCC(C)C)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)CCCCCCCCCCCCC(=O)OC(C(C)C)C(NC(=O)C(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:
COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 4
HBD: 16 FractionCSP3: 0.8
AlogP: -0.8 Num_rotatable_bonds: 37
MolWt: 1184.4 Num_heavy_atoms: 83
TPSA: 438.66 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
AD22560
Formula: C40H74O10N8

Smiles:
CC(C)CCCCCCCCCCCCC(=O)OC(C(C)C)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O
HBA: 18 RingCount: 1
HBD: 11 FractionCSP3: 0.82
AlogP: 2.58 Num_rotatable_bonds: 31
MolWt: 827.08 Num_heavy_atoms: 58
TPSA: 280.4 NumAromaticRings: 0

Sugarmoiety
SD00992

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