Glycoside
...
GD000530

Name:
None

Formula:
C57H87O13N19

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCc5cn(CCCCCn6cc(CCCCc7cn(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)nn6)nn5)cc4)[nH]c3c2)CC1

Aglycone:
CN1CCN(c2ccc3nc(-c4ccc(OCc5cn(CCCCCn6cc(CCCCc7cn(C)nn7)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: 32 RingCount: 11
HBD: 19 FractionCSP3: 0.67
AlogP: -4.1 Num_rotatable_bonds: 26
MolWt: 1246.44 Num_heavy_atoms: 89
TPSA: 469.4 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
AD00585
Formula: C35H45ON13

Smiles:
CN1CCN(c2ccc3nc(-c4ccc(OCc5cn(CCCCCn6cc(CCCCc7cn(C)nn7)nn6)nn5)cc4)[nH]c3c2)CC1
HBA: 14 RingCount: 7
HBD: 1 FractionCSP3: 0.46
AlogP: 4.31 Num_rotatable_bonds: 16
MolWt: 663.84 Num_heavy_atoms: 49
TPSA: 136.52 NumAromaticRings: 6

Sugarmoiety
SD00021

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