Glycoside
...
GD008898

Name:
None

Formula:
C64H100O18N14S2

Smiles:
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCCOCCOCCOCCOCCOCCNC(=S)NCCSCC[C@@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](N)C[C@@H](N)[C@H]8O[C@@H]8O[C@H](CN)[C@H](O)[C@H](O)[C@H]8N)[C@H](O)[C@H]7O[C@@H]7O[C@H](CN)[C@H](O)[C@H](O)[C@H]7N)cc6)nc5c4)nc3c2)CC1

Aglycone:
CCSCCNC(=S)NCCOCCOCCOCCOCCOCCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1.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: 32 RingCount: 10
HBD: 22 FractionCSP3: 0.67
AlogP: -3.3 Num_rotatable_bonds: 36
MolWt: 1417.72 Num_heavy_atoms: 98
TPSA: 476.16 NumAromaticRings: 5

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
AD07046
Formula: C42H58O6N8S2

Smiles:
CCSCCNC(=S)NCCOCCOCCOCCOCCOCCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1
HBA: 14 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 5.2 Num_rotatable_bonds: 26
MolWt: 835.11 Num_heavy_atoms: 58
TPSA: 143.28 NumAromaticRings: 5

Sugarmoiety
SD00021

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