Glycoside
...
GD037139

Name:
None

Formula:
C82H149O16N9S

Smiles:
CCCCCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CCCCCCCCCOCc1cn(CCCCCCCCCCCCCCCCSC[C@@H]3O[C@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)[C@@H](N)C[C@@H](N)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)nn1)O2

Aglycone:
CCCCCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCCCCCCCOCc1cn(CCCCCCCCCCCCCCCCSC)nn1)O2.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 18 FractionCSP3: 0.89
AlogP: 10.11 Num_rotatable_bonds: 56
MolWt: 1549.21 Num_heavy_atoms: 108
TPSA: 408.35 NumAromaticRings: 2

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD23417
Formula: C60H107O4N3S

Smiles:
CCCCCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCCCCCCCOCc1cn(CCCCCCCCCCCCCCCCSC)nn1)O2
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.85
AlogP: 18.62 Num_rotatable_bonds: 46
MolWt: 966.6 Num_heavy_atoms: 68
TPSA: 75.47 NumAromaticRings: 2

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O