Glycoside
...
GD012546

Name:
None

Formula:
C63H95O19N15

Smiles:
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCOCCOCCOCCOCCOCCOCc7cn(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(OCCOCCOCCOCCOCCOCCOCc7cn(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: 34 RingCount: 11
HBD: 20 FractionCSP3: 0.65
AlogP: -4.08 Num_rotatable_bonds: 34
MolWt: 1366.54 Num_heavy_atoms: 97
TPSA: 492.04 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
AD09450
Formula: C41H53O7N9

Smiles:
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCOCCOCCOCCOCCOCCOCc7cn(C)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1
HBA: 16 RingCount: 7
HBD: 2 FractionCSP3: 0.46
AlogP: 4.33 Num_rotatable_bonds: 24
MolWt: 783.93 Num_heavy_atoms: 57
TPSA: 159.16 NumAromaticRings: 6

Sugarmoiety
SD00021

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