Glycoside
...
GD035044

Name:
None

Formula:
C49H74O14N16

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(COCc6cn(C[C@@H]7O[C@H](O[C@H]8[C@H](O[C@@H]9O[C@H](CN)[C@H](O)[C@H](O)[C@H]9N)[C@@H](N)C[C@@H](N)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CN)[C@H](O)[C@H](O)[C@H]7N)nn6)nn5)cc4)[nH]c3c2)CC1

Aglycone:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(COCc6cn(C)nn6)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: 30 RingCount: 10
HBD: 19 FractionCSP3: 0.65
AlogP: -5.91 Num_rotatable_bonds: 20
MolWt: 1111.23 Num_heavy_atoms: 79
TPSA: 447.92 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
AD22200
Formula: C27H32O2N10

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(COCc6cn(C)nn6)nn5)cc4)[nH]c3c2)CC1
HBA: 12 RingCount: 6
HBD: 1 FractionCSP3: 0.37
AlogP: 2.5 Num_rotatable_bonds: 10
MolWt: 528.62 Num_heavy_atoms: 39
TPSA: 115.04 NumAromaticRings: 5

Sugarmoiety
SD00021

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