Glycoside
...
GD007765

Name:
None

Formula:
C48H56O6N8

Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@H]1O

Aglycone:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc4c(c(NCC(c5ccccc5)c5ccccc5)n3)N=C[N]4)cc2)cc(C(C)(C)C)c1O

Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.35
AlogP: 6.64 Num_rotatable_bonds: 13
MolWt: 841.03 Num_heavy_atoms: 62
TPSA: 195.78 NumAromaticRings: 6

Unique Aglycone
AD06290
Formula: C42H46O2N7

Smiles:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc4c(c(NCC(c5ccccc5)c5ccccc5)n3)N=C[N]4)cc2)cc(C(C)(C)C)c1O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.29
AlogP: 8.84 Num_rotatable_bonds: 11
MolWt: 680.88 Num_heavy_atoms: 51
TPSA: 125.63 NumAromaticRings: 5

Sugarmoiety
SD00034

CNC(=O)C1OC(O)C(O)C1O