Glycoside
...
GD155575

Name:
Verbenabraside A

Formula:
C25H32O12

Smiles:
CC1CC2OC(=O)C(COC3OC(CO)C(OC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C2C1CO

Aglycone:
CC1CC2OC(=O)C(CO)C2C1CO.O=C(O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.6
AlogP: -0.72 Num_rotatable_bonds: 8
MolWt: 524.52 Num_heavy_atoms: 37
TPSA: 192.44 NumAromaticRings: 1

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
AD52084
Formula: C10H16O4

Smiles:
CC1CC2OC(=O)C(CO)C2C1CO
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.9
AlogP: -0.22 Num_rotatable_bonds: 2
MolWt: 200.23 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00003

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