Glycoside
...
GD129997

Name:
3-(2,2-diamino-1-{3,4,5-trihydroxy-6-[3'-(1H-indol-3-yl)-14',15'-dimethoxy-8',17'-dioxaspiro[cyclohexane-1,9'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-2'(7'),3',5',11'(16'),12',14'-hexaeneoxy]oxan-2-yl}ethoxy)-3-oxopropanoic acid

Formula:
C40H45O13N3

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3c[nH]c4ccccc34)OC3(CCCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OC3(CCCCC3)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: 0.45
AlogP: 2.98 Num_rotatable_bonds: 10
MolWt: 775.81 Num_heavy_atoms: 56
TPSA: 247.5 NumAromaticRings: 4

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
AD52664
Formula: C30H29O5N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OC3(CCCCC3)C21
HBA: 6 RingCount: 7
HBD: 2 FractionCSP3: 0.33
AlogP: 6.87 Num_rotatable_bonds: 3
MolWt: 483.56 Num_heavy_atoms: 36
TPSA: 72.94 NumAromaticRings: 4

Sugarmoiety
SD00017

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