Glycoside
...
GD039029

Name:
[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

Formula:
C42H54O21N9PS4

Smiles:
Cc1cc2nc3c(=O)n(OCCS(O)(O)c4ccc(NNc5c(S(O)(O)O)cc6cc(S(O)(O)O)c(NNc7ccc(S(C)(O)O)cc7)c(O)c6c5N)cc4)c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C

Aglycone:
Cc1cc2nc3c(=O)n(OCCS(O)(O)c4ccc(NNc5c(S(O)(O)O)cc6cc(S(O)(O)O)c(NNc7ccc(S(C)(O)O)cc7)c(O)c6c5N)cc4)c(=O)nc-3n(C)c2cc1C

Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 30 RingCount: 7
HBD: 22 FractionCSP3: 0.24
AlogP: 5.33 Num_rotatable_bonds: 21
MolWt: 1180.18 Num_heavy_atoms: 77
TPSA: 503.13 NumAromaticRings: 5

Unique Aglycone
AD24247
Formula: C38H45O14N9S4

Smiles:
Cc1cc2nc3c(=O)n(OCCS(O)(O)c4ccc(NNc5c(S(O)(O)O)cc6cc(S(O)(O)O)c(NNc7ccc(S(C)(O)O)cc7)c(O)c6c5N)cc4)c(=O)nc-3n(C)c2cc1C
HBA: 23 RingCount: 7
HBD: 17 FractionCSP3: 0.16
AlogP: 7.67 Num_rotatable_bonds: 14
MolWt: 980.09 Num_heavy_atoms: 65
TPSA: 375.68 NumAromaticRings: 5

Sugarmoiety
SD00148

O=P(O)(O)OCC(O)C(O)C(O)O