Glycoside
...
GD122600

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-6-yl]-3,4,5-trihydroxybenzoate

Formula:
C40H36O28

Smiles:
O=C(OC1OC(CO)C(O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(-c4c(C(=O)OC5OC(CO)C(O)C(O)C5O)cc(O)c(O)c4O)c3C(=O)OC12)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1OC(CO)C(O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(-c4c(C(=O)O)cc(O)c(O)c4O)c3C(=O)OC12)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 18 FractionCSP3: 0.3
AlogP: -2.56 Num_rotatable_bonds: 7
MolWt: 964.7 Num_heavy_atoms: 68
TPSA: 487.8 NumAromaticRings: 4

Unique Aglycone
AD49420
Formula: C34H26O23

Smiles:
O=C(OC1OC(CO)C(O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(-c4c(C(=O)O)cc(O)c(O)c4O)c3C(=O)OC12)c1cc(O)c(O)c(O)c1
HBA: 23 RingCount: 6
HBD: 15 FractionCSP3: 0.18
AlogP: 0.19 Num_rotatable_bonds: 5
MolWt: 802.56 Num_heavy_atoms: 57
TPSA: 408.65 NumAromaticRings: 4

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O