Glycoside
...
GD039750

Name:
spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]]

Formula:
C35H36O12N

Smiles:
C[NH2+][C@@H]1[C@@H](O[C@@H]2c3cc4c(cc3[C@@H]3[C@@H]2OC(=O)[C@@]32C(=O)C=Cc3c(C)cc(OC)cc32)[C@](O)([C@@H]2COC(=O)O2)C=C4)O[C@H](C)[C@H](O)[C@@H]1O

Aglycone:
COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4

Sugarmoiety:
C[NH2+]C1C(O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 5 FractionCSP3: 0.46
AlogP: 0.4 Num_rotatable_bonds: 5
MolWt: 662.67 Num_heavy_atoms: 48
TPSA: 183.89 NumAromaticRings: 2

Unique Aglycone
AD00173
Formula: C28H22O9

Smiles:
COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4
HBA: 9 RingCount: 7
HBD: 2 FractionCSP3: 0.32
AlogP: 2.34 Num_rotatable_bonds: 2
MolWt: 502.48 Num_heavy_atoms: 37
TPSA: 128.59 NumAromaticRings: 2

Sugarmoiety
SD03522

C[NH2+]C1C(O)OC(C)C(O)C1O