Glycoside
...
GD038649

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

Formula:
C63H91O26N15

Smiles:
NC(COC(=O)NCCNc1c(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)NCCNc1c(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)NCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCNc1c(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: 41 RingCount: 8
HBD: 18 FractionCSP3: 0.62
AlogP: -6.16 Num_rotatable_bonds: 40
MolWt: 1474.5 Num_heavy_atoms: 104
TPSA: 575.28 NumAromaticRings: 4

Unique Aglycone
AD24086
Formula: C51H71O16N15

Smiles:
NC(COC(=O)NCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O
HBA: 31 RingCount: 6
HBD: 12 FractionCSP3: 0.53
AlogP: -1.11 Num_rotatable_bonds: 34
MolWt: 1150.22 Num_heavy_atoms: 82
TPSA: 416.98 NumAromaticRings: 4

Sugarmoiety
SD00019

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