Glycoside
...
GD132100

Name:
Meehanioside A

Formula:
C41H42O19

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC(OCCc2cc(O)c(O)cc2C(CC(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O)c2ccc(O)c(O)c2)C(O)C1O

Aglycone:
O=C(CC(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1CCO)OC(Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 12 FractionCSP3: 0.29
AlogP: 1.72 Num_rotatable_bonds: 16
MolWt: 838.77 Num_heavy_atoms: 60
TPSA: 330.89 NumAromaticRings: 4

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD45106
Formula: C26H26O11

Smiles:
O=C(CC(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1CCO)OC(Cc1ccc(O)c(O)c1)C(=O)O
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.23
AlogP: 2.22 Num_rotatable_bonds: 10
MolWt: 514.48 Num_heavy_atoms: 37
TPSA: 205.21 NumAromaticRings: 3

Sugarmoiety
SD00003

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