Glycoside
...
GD011724

Name:
(2R,3R,4S,5S,6R)-2-{[(1R,2S,3As,3Bs,7R,9R,9Ar,9Bs,11As)-7-Hydroxy-1-[(2S,3S)-3-Hydroxy-6-Methylheptan-2-Yl]-9A,11A-Dimethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy}-1H,2H,3H,3Ah,3Bh,4H,6H,7H,8H,9H,9Bh,10H,11H-Cyclopenta[A]Phenanthren-2-Yl]Oxy}-6-(Hydroxymethyl)Oxane-3,4,5-Triol

Formula:
C39H66O14

Smiles:
CC(C)CC[C@H](O)[C@H](C)[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@]4(C)[C@H]3CC[C@@]12C

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 10 FractionCSP3: 0.95
AlogP: -0.05 Num_rotatable_bonds: 11
MolWt: 758.94 Num_heavy_atoms: 53
TPSA: 239.22 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
SD00019

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