Glycoside
...
GD031613

Name:
None

Formula:
C53H74O13N16

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(-c6ccc(-c7cn(C[C@@H]8O[C@H](O[C@H]9[C@H](O[C@@H]%10O[C@H](CN)[C@H](O)[C@H](O)[C@H]%10N)[C@@H](N)C[C@@H](N)[C@H]9O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CN)[C@H](O)[C@H](O)[C@H]8N)nn7)cc6)nn5)cc4)[nH]c3c2)CC1

Aglycone:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(-c6ccc(-c7cn(C)nn7)cc6)nn5)cc4)[nH]c3c2)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: 29 RingCount: 11
HBD: 19 FractionCSP3: 0.57
AlogP: -4.3 Num_rotatable_bonds: 18
MolWt: 1143.27 Num_heavy_atoms: 82
TPSA: 438.69 NumAromaticRings: 6

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
AD20350
Formula: C31H32ON10

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(-c6ccc(-c7cn(C)nn7)cc6)nn5)cc4)[nH]c3c2)CC1
HBA: 11 RingCount: 7
HBD: 1 FractionCSP3: 0.26
AlogP: 4.11 Num_rotatable_bonds: 8
MolWt: 560.67 Num_heavy_atoms: 42
TPSA: 105.81 NumAromaticRings: 6

Sugarmoiety
SD00021

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