Glycoside
...
GD147759

Name:
3-[2,2-diamino-1-(6-{[9-benzyl-3-(1H-indol-3-yl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)ethoxy]-3-oxopropanoic acid

Formula:
C42H43O13N3

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3c[nH]c4ccccc34)OC(Cc3ccccc3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OC(Cc3ccccc3)C21.NC(N)COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.33
AlogP: 2.89 Num_rotatable_bonds: 12
MolWt: 797.81 Num_heavy_atoms: 58
TPSA: 247.5 NumAromaticRings: 5

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD59163
Formula: C32H27O5N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OC(Cc3ccccc3)C21
HBA: 6 RingCount: 7
HBD: 2 FractionCSP3: 0.19
AlogP: 6.78 Num_rotatable_bonds: 5
MolWt: 505.57 Num_heavy_atoms: 38
TPSA: 72.94 NumAromaticRings: 5

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O