Glycoside
...
GD117811

Name:
None

Formula:
C56H67O17N7

Smiles:
CNCC1CCCCC1(C=O)NC(=N)NC(OC(=O)C(NCCC=O)C(=O)O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2-c2cc(C)cc(C)c2)C(O)(C(O)CCCO)C1(O)CO

Aglycone:
CNCC1CCCCC1(C=O)NC(=N)NCOC(=O)C(NCCC=O)C(=O)O.Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCO

Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 13 FractionCSP3: 0.43
AlogP: 1.88 Num_rotatable_bonds: 24
MolWt: 1110.18 Num_heavy_atoms: 80
TPSA: 369.71 NumAromaticRings: 6

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD09062
Formula: C4H10O2

Smiles:
OCCCCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.25 Num_rotatable_bonds: 3
MolWt: 90.12 Num_heavy_atoms: 6
TPSA: 40.46 NumAromaticRings: 0
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD47023
Formula: C17H29O6N5

Smiles:
CNCC1CCCCC1(C=O)NC(=N)NCOC(=O)C(NCCC=O)C(=O)O
HBA: 11 RingCount: 1
HBD: 6 FractionCSP3: 0.71
AlogP: -1.42 Num_rotatable_bonds: 12
MolWt: 399.45 Num_heavy_atoms: 28
TPSA: 169.71 NumAromaticRings: 0

Sugarmoiety
SD04362

OCC1(O)C(O)OC(O)C(O)C1(O)O