Glycoside
...
GD038650

Name:
1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane

Formula:
C79H123O32N15

Smiles:
NC(COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O

Aglycone:
NC(COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 47 RingCount: 8
HBD: 18 FractionCSP3: 0.7
AlogP: -4.5 Num_rotatable_bonds: 62
MolWt: 1794.93 Num_heavy_atoms: 126
TPSA: 630.66 NumAromaticRings: 4

Unique Aglycone
AD24087
Formula: C67H103O22N15

Smiles:
NC(COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O
HBA: 37 RingCount: 6
HBD: 12 FractionCSP3: 0.64
AlogP: 0.55 Num_rotatable_bonds: 56
MolWt: 1470.64 Num_heavy_atoms: 104
TPSA: 472.36 NumAromaticRings: 4

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O