Glycoside
...
GD031184

Name:
None

Formula:
C40H80O14N10

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCNC(=O)CCC(=O)NCCCCCCOC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(N)C(O)C1O

Aglycone:
NC1CC(N)C(O)C(OCCCCCCNC(=O)CCC(=O)NCCCCCCOC2C(O)C(N)CC(N)C2O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 24 FractionCSP3: 0.95
AlogP: -7.04 Num_rotatable_bonds: 25
MolWt: 925.14 Num_heavy_atoms: 64
TPSA: 443.12 NumAromaticRings: 0

Unique Aglycone
AD20107
Formula: C28H56O8N6

Smiles:
NC1CC(N)C(O)C(OCCCCCCNC(=O)CCC(=O)NCCCCCCOC2C(O)C(N)CC(N)C2O)C1O
HBA: 14 RingCount: 2
HBD: 14 FractionCSP3: 0.93
AlogP: -2.55 Num_rotatable_bonds: 19
MolWt: 604.79 Num_heavy_atoms: 42
TPSA: 261.66 NumAromaticRings: 0

Sugarmoiety
SD00211

NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1O