Glycoside
...
GD012545

Name:
None

Formula:
C63H95O14N15

Smiles:
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCCCCCCCCOCc7cn(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]8OC(CN)[C@H](O)[C@H](O)[C@H]8N)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1

Aglycone:
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCCCCCCCCOCc7cn(C)nn7)cc6)[nH]c5c4)[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: 20 FractionCSP3: 0.65
AlogP: -0.26 Num_rotatable_bonds: 29
MolWt: 1286.54 Num_heavy_atoms: 92
TPSA: 445.89 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
AD09449
Formula: C41H53O2N9

Smiles:
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCCCCCCCCOCc7cn(C)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1
HBA: 11 RingCount: 7
HBD: 2 FractionCSP3: 0.46
AlogP: 8.15 Num_rotatable_bonds: 19
MolWt: 703.94 Num_heavy_atoms: 52
TPSA: 113.01 NumAromaticRings: 6

Sugarmoiety
SD00021

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