Glycoside
...
GD120673

Name:
2-[(4,5-dihydroxy-2-{[7-hydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C45H76O17

Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(C)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21C

Aglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: -0.17 Num_rotatable_bonds: 12
MolWt: 889.09 Num_heavy_atoms: 62
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD06943
Formula: C27H46O4

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 5
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00414

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O