Glycoside
...
GD029608

Name:
None

Formula:
C38H46O8N10S

Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1

Aglycone:
O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 9 FractionCSP3: 0.45
AlogP: 0.86 Num_rotatable_bonds: 17
MolWt: 802.92 Num_heavy_atoms: 57
TPSA: 253.98 NumAromaticRings: 4

Unique Aglycone
AD19244
Formula: C33H37O4N10S

Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.36
AlogP: 2.81 Num_rotatable_bonds: 15
MolWt: 669.79 Num_heavy_atoms: 48
TPSA: 192.7 NumAromaticRings: 3

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O